1-hydroxy-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide

C14H19NO2 — CID 110907173

IUPAC1-hydroxy-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
SMILESCc1cccc(CNC(=O)C2(O)CCCC2)c1
InChIInChI=1S/C14H19NO2/c1-11-5-4-6-12(9-11)10-15-13(16)14(17)7-2-3-8-14/h4-6,9,17H,2-3,7-8,10H2,1H3,(H,15,16)
InChIKeyPOEANHJGOKDDSV-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.92
Rot. Bonds3

About 1-hydroxy-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide

1-hydroxy-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide (PubChem CID 110907173) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-hydroxy-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
PubChem CID110907173
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-hydroxy-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
SMILESCc1cccc(CNC(=O)C2(O)CCCC2)c1
InChIInChI=1S/C14H19NO2/c1-11-5-4-6-12(9-11)10-15-13(16)14(17)7-2-3-8-14/h4-6,9,17H,2-3,7-8,10H2,1H3,(H,15,16)
InChIKeyPOEANHJGOKDDSV-UHFFFAOYSA-N
XLogP1.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,1-N'-bis[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975048
N-[(3-fluorophenyl)methyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907192
1-hydroxy-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 110922178
1-[(3-methylphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096961
1-N-[(3-methylphenyl)methyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108970412
3-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119944291
1-N-[(4-fluorophenyl)methyl]-1-N'-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975053
1-N'-tert-butyl-1-N-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975092
1-[(3-methylphenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81162802
1-N'-(2,6-difluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975193
N-[(3-methylphenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63128555
1-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]cyclohexane-1-carboxamide
CID 119287309

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-hydroxy-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide (CID 110907173) is 1-hydroxy-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-hydroxy-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-hydroxy-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide is Cc1cccc(CNC(=O)C2(O)CCCC2)c1.
What is the InChIKey of 1-hydroxy-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is POEANHJGOKDDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-5-4-6-12(9-11)10-15-13(16)14(17)7-2-3-8-14/h4-6,9,17H,2-3,7-8,10H2,1H3,(H,15,16).
What are the key properties of 1-hydroxy-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide?
1-hydroxy-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 110907173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).