1-methyl-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide

C16H23NO — CID 134107417

IUPAC1-methyl-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
SMILESCc1ccccc1CNC(=O)C1(C)CCCCC1
InChIInChI=1S/C16H23NO/c1-13-8-4-5-9-14(13)12-17-15(18)16(2)10-6-3-7-11-16/h4-5,8-9H,3,6-7,10-12H2,1-2H3,(H,17,18)
InChIKeySWXGHTASNMYRLP-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.58
Rot. Bonds3

About 1-methyl-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide

1-methyl-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 134107417) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-methyl-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
PubChem CID134107417
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-methyl-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
SMILESCc1ccccc1CNC(=O)C1(C)CCCCC1
InChIInChI=1S/C16H23NO/c1-13-8-4-5-9-14(13)12-17-15(18)16(2)10-6-3-7-11-16/h4-5,8-9H,3,6-7,10-12H2,1-2H3,(H,17,18)
InChIKeySWXGHTASNMYRLP-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92864096
1-amino-N-[(2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119270631
1-N,1-N'-bis[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974899
(3R)-1-N-cyclohexyl-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95087773
1-(2,6-difluorobenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 53117054
(3R)-3-methyl-1-(3-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 95087371
1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43402226
3-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 79749345
(3R)-3-methyl-N-[(2-methylphenyl)methyl]-1-(3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 95088204
(3R)-1-(2-chlorophenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 95088198
(3R)-1-(4-cyclohexylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 95088178
N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylcyclopentane-1-carboxamide
CID 107231871

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-methyl-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide (CID 134107417) is 1-methyl-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-methyl-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide is Cc1ccccc1CNC(=O)C1(C)CCCCC1.
What is the InChIKey of 1-methyl-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is SWXGHTASNMYRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-13-8-4-5-9-14(13)12-17-15(18)16(2)10-6-3-7-11-16/h4-5,8-9H,3,6-7,10-12H2,1-2H3,(H,17,18).
What are the key properties of 1-methyl-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide?
1-methyl-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 245.37 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 134107417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).