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HEPTYLFORMAMIDE - Compound Summary (CID 347402)

Depositor-Supplied Synonyms: (Total: 9)
Sort:
HEPTYLFORMAMIDE
N-HEPTYLFORMAMIDE
Formamide, N-heptyl-
NCIOpen2_003529
CID347402
NSC406065
DB04105
HPL
59734-16-6


Properties Computed from Structure:
Molecular Weight143.22668 [g/mol]
Molecular FormulaC8H17NO
XLogP3-AA2.4
H-Bond Donor1
H-Bond Acceptor1
Rotatable Bond Count6
Tautomer Count2
Exact Mass143.131014
MonoIsotopic Mass143.131014
Topological Polar Surface Area29.1
Heavy Atom Count10
Formal Charge0
Complexity73.7
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1


Descriptors Computed from Structure:
IUPAC Name: N-heptylformamide
Canonical SMILES: CCCCCCCNC=O
InChI: InChI=1S/C8H17NO/c1-2-3-4-5-6-7-9-8-10/h8H,2-7H2,1H3,(H,9,10)
InChIKey: YAUHDTOEJHVKJO-UHFFFAOYSA-N


Compound Information:
CID 347402   
Create Date: 2005-03-26


Similar Compounds: 34 Links
Similar Conformers: 88 Links    View Conformers


Substance Information:
Substances:
    All: 19 Links
    Same structure: 12 Links
    Mixture: 7 Links

Category: [for same structure substances]
Biological Properties: 4 Links
   ChemBank ( 1 )
SID 11451017 - External ID: NCIOpen2_003529
   DiscoveryGate ( 1 )
SID 8905313 - External ID: 347402
   DTP/NCI ( 1 )
SID 475988 - External ID: 406065
   NextBio ( 1 )
SID 50777495 - External ID: 347402

Journal Publishers: 1 Link
   Thomson Pharma ( 1 )
SID 15898420 - External ID: 01387099

Protein 3D Structures: 2 Links
   MMDB ( 1 )
SID 584252 - External ID: 29994.10
   SMID ( 1 )
SID 7888207 - External ID: HPL

Substance Vendors: 3 Links
   ChemSpider ( 3 )
SID 30070583 - External ID: 13518532
SID 41183637 - External ID: 16036355
SID 41494385 - External ID: 308252

Theoretical Properties: 1 Link
   ChemDB ( 1 )
SID 4587242 - External ID: 5250298
     

2D

3D
Compound ID347402
Molecular Weight143.22668 [g/mol]
Molecular FormulaC8H17NO
XLogP3-AA2.4
H-Bond Donor1
H-Bond Acceptor1


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