N-[(2-hydroxyphenyl)methyl]cyclopentanecarboxamide

C13H17NO2 — CID 110470991

IUPACN-[(2-hydroxyphenyl)methyl]cyclopentanecarboxamide
SMILESO=C(NCc1ccccc1O)C1CCCC1
InChIInChI=1S/C13H17NO2/c15-12-8-4-3-7-11(12)9-14-13(16)10-5-1-2-6-10/h3-4,7-8,10,15H,1-2,5-6,9H2,(H,14,16)
InChIKeyAAIAUBWEZHOEMP-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.20
Rot. Bonds3

About N-[(2-hydroxyphenyl)methyl]cyclopentanecarboxamide

N-[(2-hydroxyphenyl)methyl]cyclopentanecarboxamide (PubChem CID 110470991) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methyl]cyclopentanecarboxamide
PubChem CID110470991
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-[(2-hydroxyphenyl)methyl]cyclopentanecarboxamide
SMILESO=C(NCc1ccccc1O)C1CCCC1
InChIInChI=1S/C13H17NO2/c15-12-8-4-3-7-11(12)9-14-13(16)10-5-1-2-6-10/h3-4,7-8,10,15H,1-2,5-6,9H2,(H,14,16)
InChIKeyAAIAUBWEZHOEMP-UHFFFAOYSA-N
XLogP2.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
N-[(2-hydroxyphenyl)methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106703935
3-[(2-hydroxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103551256
N-benzylcyclopentanecarboxamide
CID 835634
N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]cyclohexanecarboxamide
CID 8968845
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropanecarboxamide
CID 110902492
N-[(2-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126936
N-[[2-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide
CID 62952159
N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]cyclohexanecarboxamide
CID 110441771
N-benzylcyclobutanecarboxamide
CID 730128
N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 5167507

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methyl]cyclopentanecarboxamide?
The IUPAC name of N-[(2-hydroxyphenyl)methyl]cyclopentanecarboxamide (CID 110470991) is N-[(2-hydroxyphenyl)methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methyl]cyclopentanecarboxamide is O=C(NCc1ccccc1O)C1CCCC1.
What is the InChIKey of N-[(2-hydroxyphenyl)methyl]cyclopentanecarboxamide?
The InChIKey is AAIAUBWEZHOEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-12-8-4-3-7-11(12)9-14-13(16)10-5-1-2-6-10/h3-4,7-8,10,15H,1-2,5-6,9H2,(H,14,16).
What are the key properties of N-[(2-hydroxyphenyl)methyl]cyclopentanecarboxamide?
N-[(2-hydroxyphenyl)methyl]cyclopentanecarboxamide has a molecular weight of 219.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methyl]cyclopentanecarboxamide is sourced from PubChem (CID 110470991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).