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

C16H24N2O — CID 60847411

IUPAC4-amino-N-methyl-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide
SMILESCc1ccc(CN(C)C(=O)C2CCC(N)CC2)cc1
InChIInChI=1S/C16H24N2O/c1-12-3-5-13(6-4-12)11-18(2)16(19)14-7-9-15(17)10-8-14/h3-6,14-15H,7-11,17H2,1-2H3
InChIKeyZMNZPVQPBBKKGO-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.47
Rot. Bonds3

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

4-amino-N-methyl-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 60847411) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide
PubChem CID60847411
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-amino-N-methyl-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide
SMILESCc1ccc(CN(C)C(=O)C2CCC(N)CC2)cc1
InChIInChI=1S/C16H24N2O/c1-12-3-5-13(6-4-12)11-18(2)16(19)14-7-9-15(17)10-8-14/h3-6,14-15H,7-11,17H2,1-2H3
InChIKeyZMNZPVQPBBKKGO-UHFFFAOYSA-N
XLogP2.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[(4-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 60936865
N-[(4-ethylphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630877
4-amino-N-[(3-chlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 54868902
N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclopentanecarboxamide
CID 54939453
3-amino-N-methyl-N-[(4-methylsulfinylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119807766
N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclooctanecarboxamide
CID 65019365
4-amino-N-methyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 54928756
(3R)-1-(dimethylsulfamoyl)-N-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 28631723
4-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79512212
4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79512301
4-(aminomethyl)-N-[(3,4-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79512383
3-amino-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 115161620

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide (CID 60847411) is 4-amino-N-methyl-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide is Cc1ccc(CN(C)C(=O)C2CCC(N)CC2)cc1.
What is the InChIKey of 4-amino-N-methyl-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is ZMNZPVQPBBKKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-3-5-13(6-4-12)11-18(2)16(19)14-7-9-15(17)10-8-14/h3-6,14-15H,7-11,17H2,1-2H3.
What are the key properties of 4-amino-N-methyl-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide?
4-amino-N-methyl-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 60847411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).