1-hydroxy-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide

C15H21NO3 — CID 140694545

IUPAC1-hydroxy-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2(O)CCCCC2)cc1
InChIInChI=1S/C15H21NO3/c1-19-13-7-5-12(6-8-13)11-16-14(17)15(18)9-3-2-4-10-15/h5-8,18H,2-4,9-11H2,1H3,(H,16,17)
InChIKeyBCNLTQNVPRQTLR-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.01
Rot. Bonds4

About 1-hydroxy-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide

1-hydroxy-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 140694545) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-hydroxy-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
PubChem CID140694545
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-hydroxy-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2(O)CCCCC2)cc1
InChIInChI=1S/C15H21NO3/c1-19-13-7-5-12(6-8-13)11-16-14(17)15(18)9-3-2-4-10-15/h5-8,18H,2-4,9-11H2,1H3,(H,16,17)
InChIKeyBCNLTQNVPRQTLR-UHFFFAOYSA-N
XLogP2.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43396506
1-hydroxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide
CID 111102357
1-(aminomethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 80588402
N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198206
1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 110438220
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
N-[(4-methoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119673811
1-(4-acetamidophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 53110552
1-[[(4-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931646
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
1-hydroxy-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 110907173
1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 31935022

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-hydroxy-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide (CID 140694545) is 1-hydroxy-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-hydroxy-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-hydroxy-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide is COc1ccc(CNC(=O)C2(O)CCCCC2)cc1.
What is the InChIKey of 1-hydroxy-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is BCNLTQNVPRQTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-19-13-7-5-12(6-8-13)11-16-14(17)15(18)9-3-2-4-10-15/h5-8,18H,2-4,9-11H2,1H3,(H,16,17).
What are the key properties of 1-hydroxy-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
1-hydroxy-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 140694545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).