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3,5-Dipropyl-4-propoxybenzamide - Compound Summary (CID 57662)

Depositor-Supplied Synonyms: (Total: 7)
Sort:
3,5-Dipropyl-4-propoxybenzamide
4-Propoxy-3,5-dipropylbenzamide
BRN 2590148
CID57662
BENZAMIDE, 3,5-DIPROPYL-4-PROPOXY-
LS-26767
100243-37-6


Properties Computed from Structure:
Molecular Weight263.3752 [g/mol]
Molecular FormulaC16H25NO2
XLogP3-AA4.3
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count8
Tautomer Count2
Exact Mass263.188529
MonoIsotopic Mass263.188529
Topological Polar Surface Area52.3
Heavy Atom Count19
Formal Charge0
Complexity252
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: 4-propoxy-3,5-dipropylbenzamide
Canonical SMILES: CCCC1=CC(=CC(=C1OCCC)CCC)C(=O)N
InChI: InChI=1S/C16H25NO2/c1-4-7-12-10-14(16(17)18)11-13(8-5-2)15(12)19-9-6-3/
h10-11H,4-9H2,1-3H3,(H2,17,18)
InChIKey: NRCVQALKJYLUTK-UHFFFAOYSA-N


Compound Information:
CID 57662   
Create Date: 2005-08-08


Similar Compounds: 105 Links
Similar Conformers: 31 Links    View Conformers


Substance Information:
Substances: 5 Links

Category: [for same structure substances]
Biological Properties: 3 Links
   DiscoveryGate ( 1 )
SID 8185364 - External ID: 57662
   LeadScope ( 1 )
SID 49876722 - External ID: LS-26767
   NextBio ( 1 )
SID 52158227 - External ID: 57662

Substance Vendors: 1 Link
   ChemSpider ( 1 )
SID 43115332 - External ID: 51980

Toxicology: 1 Link
   ChemIDplus ( 1 )
SID 194684 - External ID: 100243376
     

2D

3D
Compound ID57662
Molecular Weight263.3752 [g/mol]
Molecular FormulaC16H25NO2
XLogP3-AA4.3
H-Bond Donor1
H-Bond Acceptor2


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