NSC80570 - PubChem Public Chemical Database


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NSC80570 - Compound Summary (CID 255226)

Table of Contents

Compound Information

Substance Information

PubChem Compound Data

Properties Computed from Structure:

Molecular Weight	310.39018 [g/mol]
Molecular Formula	C₁₉H₂₂N₂O₂
XLogP3-AA	2.9
H-Bond Donor	3
H-Bond Acceptor	3
Rotatable Bond Count	4
Tautomer Count	3
Exact Mass	310.168128
MonoIsotopic Mass	310.168128
Topological Polar Surface Area	61.4
Heavy Atom Count	23
Formal Charge	0
Complexity	404
Isotope Atom Count	0
Defined Atom StereoCenter Count	0
Undefined Atom StereoCenter Count	2
Defined Bond StereoCenter Count	0
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	1

PubChem Compound Data

Descriptors Computed from Structure:

IUPAC Name: 4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-propan-2-ylbenzamide
Canonical SMILES: CC(C)NC(=O)C1=CC=C(C=C1)NC2C(CC3=CC=CC=C23)O
InChI: InChI=1S/C19H22N2O2/c1-12(2)20-19(23)13-7-9-15(10-8-13)21-18-16-6-4-3-5-
14(16)11-17(18)22/h3-10,12,17-18,21-22H,11H2,1-2H3,(H,20,23)

InChIKey: JILKSOJTLVKGOK-UHFFFAOYSA-N

PubChem Compound Data

Compound Information:

CID 255226

Create Date: 2005-03-26

Similar Compounds: 5 Links

Similar Conformers: 16 Links View Conformers

PubChem Substance Data

Substance Information:

Substances: 5 Links

Category: [for same structure substances]

Biological Properties: 3 Links
DiscoveryGate ( 1 )

SID 9400176 - External ID: 255226

DTP/NCI ( 1 )

SID 119930 - External ID: 80570

NextBio ( 1 )

SID 51635066 - External ID: 255226

Substance Vendors: 1 Link
ChemSpider ( 1 )

SID 30053123 - External ID: 223764

Theoretical Properties: 1 Link
ChemDB ( 1 )

SID 5818558 - External ID: 5069702


	2D		3D

Compound ID	255226
Molecular Weight	310.39018 [g/mol]
Molecular Formula	C₁₉H₂₂N₂O₂
XLogP3-AA	2.9
H-Bond Donor	3
H-Bond Acceptor	3

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Chemical Structure Search


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