1-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide

C15H21NO2 — CID 69477572

IUPAC1-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide
SMILESCOc1cccc(CC2(C(N)=O)CCCCC2)c1
InChIInChI=1S/C15H21NO2/c1-18-13-7-5-6-12(10-13)11-15(14(16)17)8-3-2-4-9-15/h5-7,10H,2-4,8-9,11H2,1H3,(H2,16,17)
InChIKeyZOQJXPMUTRGHRT-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.67
Rot. Bonds4

About 1-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide

1-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 69477572) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide
PubChem CID69477572
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide
SMILESCOc1cccc(CC2(C(N)=O)CCCCC2)c1
InChIInChI=1S/C15H21NO2/c1-18-13-7-5-6-12(10-13)11-15(14(16)17)8-3-2-4-9-15/h5-7,10H,2-4,8-9,11H2,1H3,(H2,16,17)
InChIKeyZOQJXPMUTRGHRT-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-[(3-methoxyphenyl)methyl]cyclooctane-1-carboxylic acid
CID 80611133
1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 69475295
3-[(3-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 63140807
[1-[(3-methoxyphenyl)methyl]cyclooctyl]methanamine
CID 80603141
1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 23027904
1-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclohexane-1-carboxylic acid
CID 62269993
1-[(3-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 82129111
1-[(3-methoxyphenyl)methyl]cyclopropan-1-ol
CID 62669869
1-[(1-hydroxycycloheptyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 111425507
N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 64866121
acetamide;2-(3-methoxyphenyl)acetyl chloride
CID 158389550
methyl 8-[(3-methoxyphenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 131709908

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide (CID 69477572) is 1-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide is COc1cccc(CC2(C(N)=O)CCCCC2)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is ZOQJXPMUTRGHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-18-13-7-5-6-12(10-13)11-15(14(16)17)8-3-2-4-9-15/h5-7,10H,2-4,8-9,11H2,1H3,(H2,16,17).
What are the key properties of 1-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
1-[(3-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-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 69477572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).