4-amino-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide

C15H22N2O — CID 60912945

IUPAC4-amino-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide
SMILESCc1cccc(CNC(=O)C2CCC(N)CC2)c1
InChIInChI=1S/C15H22N2O/c1-11-3-2-4-12(9-11)10-17-15(18)13-5-7-14(16)8-6-13/h2-4,9,13-14H,5-8,10,16H2,1H3,(H,17,18)
InChIKeyCJJZBDIZEBNBJW-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.13
Rot. Bonds3

About 4-amino-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide

4-amino-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 60912945) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-amino-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide
PubChem CID60912945
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-amino-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide
SMILESCc1cccc(CNC(=O)C2CCC(N)CC2)c1
InChIInChI=1S/C15H22N2O/c1-11-3-2-4-12(9-11)10-17-15(18)13-5-7-14(16)8-6-13/h2-4,9,13-14H,5-8,10,16H2,1H3,(H,17,18)
InChIKeyCJJZBDIZEBNBJW-UHFFFAOYSA-N
XLogP2.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
4-amino-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 55062327
N-[(3-methylphenyl)methyl]oxane-4-carboxamide
CID 30797255
1-N-[(3-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109148085
4-N-[(3-methylphenyl)methyl]-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148068
4-N-(4-acetylphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148113
4-N-(3-fluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148115
1-(2-hydroxyethyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 71035260
4-N-(4-ethoxyphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148110
4-(cyclopropanecarbonylamino)-N-[(3-methylphenyl)methyl]benzamide
CID 33279074
1-(furan-2-carbonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 33280813
N-(4-aminocyclohexyl)-2-(3-methylphenyl)acetamide
CID 62387693

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide (CID 60912945) is 4-amino-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide is Cc1cccc(CNC(=O)C2CCC(N)CC2)c1.
What is the InChIKey of 4-amino-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is CJJZBDIZEBNBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-3-2-4-12(9-11)10-17-15(18)13-5-7-14(16)8-6-13/h2-4,9,13-14H,5-8,10,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide?
4-amino-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 60912945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).