N-(2-hydroxy-4-methoxyphenyl)cyclopentanecarboxamide

C13H17NO3 — CID 146453828

IUPACN-(2-hydroxy-4-methoxyphenyl)cyclopentanecarboxamide
SMILESCOc1ccc(NC(=O)C2CCCC2)c(O)c1
InChIInChI=1S/C13H17NO3/c1-17-10-6-7-11(12(15)8-10)14-13(16)9-4-2-3-5-9/h6-9,15H,2-5H2,1H3,(H,14,16)
InChIKeyKKSVETOPZUAEPM-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.53
Rot. Bonds3

About N-(2-hydroxy-4-methoxyphenyl)cyclopentanecarboxamide

N-(2-hydroxy-4-methoxyphenyl)cyclopentanecarboxamide (PubChem CID 146453828) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-(2-hydroxy-4-methoxyphenyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methoxyphenyl)cyclopentanecarboxamide
PubChem CID146453828
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-(2-hydroxy-4-methoxyphenyl)cyclopentanecarboxamide
SMILESCOc1ccc(NC(=O)C2CCCC2)c(O)c1
InChIInChI=1S/C13H17NO3/c1-17-10-6-7-11(12(15)8-10)14-13(16)9-4-2-3-5-9/h6-9,15H,2-5H2,1H3,(H,14,16)
InChIKeyKKSVETOPZUAEPM-UHFFFAOYSA-N
XLogP2.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-methoxyphenyl)cyclopentanecarboxamide
CID 110777920
N-(2-amino-4-methoxyphenyl)cyclobutanecarboxamide
CID 16774141
N-(2-bromo-5-methoxyphenyl)cycloheptanecarboxamide
CID 62780708
(2S)-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 102695287
N-(2-amino-5-methoxyphenyl)cyclobutanecarboxamide;hydrochloride
CID 119421373
N-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide
CID 3502281
N-(4-amino-2-hydroxyphenyl)cyclohexanecarboxamide
CID 53338609
N-(3,5-dimethoxyphenyl)cyclopentanecarboxamide
CID 4812784
4-hydroxy-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 102695323
cis-(1R,3S)-3-[[2-(cyclobutanecarbonylamino)-5-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95390922
N-(2-amino-5-methoxyphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride
CID 119421456
(1R)-N-(2,4-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide
CID 51469355

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methoxyphenyl)cyclopentanecarboxamide?
The IUPAC name of N-(2-hydroxy-4-methoxyphenyl)cyclopentanecarboxamide (CID 146453828) is N-(2-hydroxy-4-methoxyphenyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methoxyphenyl)cyclopentanecarboxamide?
The canonical SMILES for N-(2-hydroxy-4-methoxyphenyl)cyclopentanecarboxamide is COc1ccc(NC(=O)C2CCCC2)c(O)c1.
What is the InChIKey of N-(2-hydroxy-4-methoxyphenyl)cyclopentanecarboxamide?
The InChIKey is KKSVETOPZUAEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-17-10-6-7-11(12(15)8-10)14-13(16)9-4-2-3-5-9/h6-9,15H,2-5H2,1H3,(H,14,16).
What are the key properties of N-(2-hydroxy-4-methoxyphenyl)cyclopentanecarboxamide?
N-(2-hydroxy-4-methoxyphenyl)cyclopentanecarboxamide has a molecular weight of 235.28 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methoxyphenyl)cyclopentanecarboxamide is sourced from PubChem (CID 146453828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).