N-(1-cyano-2-methylcyclopentyl)-3-hydroxy-3-phenylpropanamide

C16H20N2O2 — CID 110028383

IUPACN-(1-cyano-2-methylcyclopentyl)-3-hydroxy-3-phenylpropanamide
SMILESCC1CCCC1(C#N)NC(=O)CC(O)c1ccccc1
InChIInChI=1S/C16H20N2O2/c1-12-6-5-9-16(12,11-17)18-15(20)10-14(19)13-7-3-2-4-8-13/h2-4,7-8,12,14,19H,5-6,9-10H2,1H3,(H,18,20)
InChIKeyWGTPYLDDFKNSMP-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.31
Rot. Bonds4

About N-(1-cyano-2-methylcyclopentyl)-3-hydroxy-3-phenylpropanamide

N-(1-cyano-2-methylcyclopentyl)-3-hydroxy-3-phenylpropanamide (PubChem CID 110028383) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(1-cyano-2-methylcyclopentyl)-3-hydroxy-3-phenylpropanamide.

Molecular Properties

Compound NameN-(1-cyano-2-methylcyclopentyl)-3-hydroxy-3-phenylpropanamide
PubChem CID110028383
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(1-cyano-2-methylcyclopentyl)-3-hydroxy-3-phenylpropanamide
SMILESCC1CCCC1(C#N)NC(=O)CC(O)c1ccccc1
InChIInChI=1S/C16H20N2O2/c1-12-6-5-9-16(12,11-17)18-15(20)10-14(19)13-7-3-2-4-8-13/h2-4,7-8,12,14,19H,5-6,9-10H2,1H3,(H,18,20)
InChIKeyWGTPYLDDFKNSMP-UHFFFAOYSA-N
XLogP2.31
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyano-2-methylcyclopentyl)-2-(3,5-dichlorophenyl)-2-hydroxyacetamide
CID 110028390
(3S)-N-(4-cyanooxan-4-yl)-3-phenylpentanamide
CID 95628552
ethane;N-ethyl-3-hydroxy-3-phenylpropanamide
CID 143411629
trans-(2-hydroxy-2-phenylethyl) (1R,6S)-2,2,6-trimethylcyclohexane-1-carboxylate
CID 138572011
N-(2,4-dimethylpiperidin-3-yl)-3-hydroxy-3-phenylpropanamide
CID 126830588
trans-[(2S)-2-hydroxy-2-phenylethyl] (1R,6S)-2,2,6-trimethylcyclohexane-1-carboxylate
CID 138572158
trans-(1R,6S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2,2,6-trimethylcyclohexane-1-carboxamide
CID 142560535
(1S)-N-(2-hydroxy-2-phenylethyl)-2,2,6-trimethylcyclohexane-1-carboxamide
CID 160693339
(4S)-4-hydroxy-4-phenylbutan-2-one
CID 10888260
2-(benzhydrylamino)-N-(1-cyanocyclopentyl)acetamide
CID 7516068
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834274
N-benzyl-3-hydroxy-3-phenylpropanamide
CID 15473661

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-2-methylcyclopentyl)-3-hydroxy-3-phenylpropanamide?
The IUPAC name of N-(1-cyano-2-methylcyclopentyl)-3-hydroxy-3-phenylpropanamide (CID 110028383) is N-(1-cyano-2-methylcyclopentyl)-3-hydroxy-3-phenylpropanamide.
What is the SMILES notation for N-(1-cyano-2-methylcyclopentyl)-3-hydroxy-3-phenylpropanamide?
The canonical SMILES for N-(1-cyano-2-methylcyclopentyl)-3-hydroxy-3-phenylpropanamide is CC1CCCC1(C#N)NC(=O)CC(O)c1ccccc1.
What is the InChIKey of N-(1-cyano-2-methylcyclopentyl)-3-hydroxy-3-phenylpropanamide?
The InChIKey is WGTPYLDDFKNSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-6-5-9-16(12,11-17)18-15(20)10-14(19)13-7-3-2-4-8-13/h2-4,7-8,12,14,19H,5-6,9-10H2,1H3,(H,18,20).
What are the key properties of N-(1-cyano-2-methylcyclopentyl)-3-hydroxy-3-phenylpropanamide?
N-(1-cyano-2-methylcyclopentyl)-3-hydroxy-3-phenylpropanamide has a molecular weight of 272.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-2-methylcyclopentyl)-3-hydroxy-3-phenylpropanamide is sourced from PubChem (CID 110028383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).