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

C15H21NO2 — CID 69475295

IUPAC1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(CC2(C(N)=O)CCCCC2)cc1
InChIInChI=1S/C15H21NO2/c1-18-13-7-5-12(6-8-13)11-15(14(16)17)9-3-2-4-10-15/h5-8H,2-4,9-11H2,1H3,(H2,16,17)
InChIKeyVZAFNAMZXGUSKL-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.67
Rot. Bonds4

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

1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 69475295) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
PubChem CID69475295
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(CC2(C(N)=O)CCCCC2)cc1
InChIInChI=1S/C15H21NO2/c1-18-13-7-5-12(6-8-13)11-15(14(16)17)9-3-2-4-10-15/h5-8H,2-4,9-11H2,1H3,(H2,16,17)
InChIKeyVZAFNAMZXGUSKL-UHFFFAOYSA-N
XLogP2.67
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid
CID 22660130
1-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 69477572
1-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 123851701
methyl 3-(4-aminophenyl)-2-[[1-[(4-methoxyphenyl)methyl]cyclopentanecarbonyl]amino]propanoate
CID 22660165
(4-methoxyphenyl)methyl 1-aminocycloheptane-1-carboxylate
CID 61304508
(3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide
CID 95851579
1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43396506
1-[[4-[[2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]phenyl]methyl]cyclohexane-1-carboxamide
CID 69229937
1-(1-methoxycycloheptyl)-3-(4-methoxyphenyl)propan-1-one
CID 116750532
(3S)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-[(2R)-5-oxopyrrolidine-2-carbonyl]piperidine-3-carboxamide
CID 92596864
(3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-(5-methylthiophene-3-carbonyl)piperidine-3-carboxamide
CID 92602397
1-(4-methoxyanilino)cyclohexane-1-carboxamide
CID 2310511

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide (CID 69475295) is 1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide is COc1ccc(CC2(C(N)=O)CCCCC2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is VZAFNAMZXGUSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-18-13-7-5-12(6-8-13)11-15(14(16)17)9-3-2-4-10-15/h5-8H,2-4,9-11H2,1H3,(H2,16,17).
What are the key properties of 1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 69475295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).