N-(3-acetylphenyl)-2-hydroxycyclopentane-1-carboxamide

C14H17NO3 — CID 110013625

IUPACN-(3-acetylphenyl)-2-hydroxycyclopentane-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCCC2O)c1
InChIInChI=1S/C14H17NO3/c1-9(16)10-4-2-5-11(8-10)15-14(18)12-6-3-7-13(12)17/h2,4-5,8,12-13,17H,3,6-7H2,1H3,(H,15,18)
InChIKeyZBTAKWIPDGTMEL-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.99
Rot. Bonds3

About N-(3-acetylphenyl)-2-hydroxycyclopentane-1-carboxamide

N-(3-acetylphenyl)-2-hydroxycyclopentane-1-carboxamide (PubChem CID 110013625) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-hydroxycyclopentane-1-carboxamide
PubChem CID110013625
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-(3-acetylphenyl)-2-hydroxycyclopentane-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCCC2O)c1
InChIInChI=1S/C14H17NO3/c1-9(16)10-4-2-5-11(8-10)15-14(18)12-6-3-7-13(12)17/h2,4-5,8,12-13,17H,3,6-7H2,1H3,(H,15,18)
InChIKeyZBTAKWIPDGTMEL-UHFFFAOYSA-N
XLogP1.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
2-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977967
(1S,5S)-N-(3-acetylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 50986057
1-N-(3-acetylphenyl)-2-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143768
2-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide
CID 110015626
4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150441
3-[[(1R,2R)-2-carboxycyclohexanecarbonyl]amino]benzoic acid
CID 761879
N-(3-acetylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66476131
1-(3-acetylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea
CID 71941783
(1S,12R)-N-(3-acetylphenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 848278
N-(3-acetylphenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 5061534
2-N-(3-acetylphenyl)-1-N-(2,6-diethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142489

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-hydroxycyclopentane-1-carboxamide (CID 110013625) is N-(3-acetylphenyl)-2-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-hydroxycyclopentane-1-carboxamide is CC(=O)c1cccc(NC(=O)C2CCCC2O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-hydroxycyclopentane-1-carboxamide?
The InChIKey is ZBTAKWIPDGTMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9(16)10-4-2-5-11(8-10)15-14(18)12-6-3-7-13(12)17/h2,4-5,8,12-13,17H,3,6-7H2,1H3,(H,15,18).
What are the key properties of N-(3-acetylphenyl)-2-hydroxycyclopentane-1-carboxamide?
N-(3-acetylphenyl)-2-hydroxycyclopentane-1-carboxamide has a molecular weight of 247.29 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 110013625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).