N-[(4-aminocyclohexyl)methyl]-2-(4-methylphenyl)acetamide

C16H24N2O — CID 106124207

IUPACN-[(4-aminocyclohexyl)methyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCC2CCC(N)CC2)cc1
InChIInChI=1S/C16H24N2O/c1-12-2-4-13(5-3-12)10-16(19)18-11-14-6-8-15(17)9-7-14/h2-5,14-15H,6-11,17H2,1H3,(H,18,19)
InChIKeyVXPXWECKJNQTOQ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.17
Rot. Bonds4

About N-[(4-aminocyclohexyl)methyl]-2-(4-methylphenyl)acetamide

N-[(4-aminocyclohexyl)methyl]-2-(4-methylphenyl)acetamide (PubChem CID 106124207) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-2-(4-methylphenyl)acetamide
PubChem CID106124207
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[(4-aminocyclohexyl)methyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCC2CCC(N)CC2)cc1
InChIInChI=1S/C16H24N2O/c1-12-2-4-13(5-3-12)10-16(19)18-11-14-6-8-15(17)9-7-14/h2-5,14-15H,6-11,17H2,1H3,(H,18,19)
InChIKeyVXPXWECKJNQTOQ-UHFFFAOYSA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)-N-(piperidin-4-ylmethyl)acetamide
CID 43152403
N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopropanecarboxamide
CID 46052446
2-(4-methylphenyl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
CID 71866670
N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]benzamide
CID 46052438
2-(4-aminophenyl)-N-(cyclopentylmethyl)acetamide
CID 43370694
N-[(4-aminocyclohexyl)methyl]-2-hydroxy-5-methylbenzamide
CID 106124287
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide
CID 108922214
N-(3-aminocyclobutyl)-2-(4-methylphenyl)acetamide
CID 43594870
N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 46052424
N-[(4-hydroxycyclohexyl)methyl]-2-(4-sulfanylphenyl)acetamide
CID 106137813
N-[(4-chlorocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 106133406
N-(cyclobutylmethyl)-2-(4-fluorophenyl)acetamide
CID 94168873

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-2-(4-methylphenyl)acetamide (CID 106124207) is N-[(4-aminocyclohexyl)methyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)NCC2CCC(N)CC2)cc1.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-2-(4-methylphenyl)acetamide?
The InChIKey is VXPXWECKJNQTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-2-4-13(5-3-12)10-16(19)18-11-14-6-8-15(17)9-7-14/h2-5,14-15H,6-11,17H2,1H3,(H,18,19).
What are the key properties of N-[(4-aminocyclohexyl)methyl]-2-(4-methylphenyl)acetamide?
N-[(4-aminocyclohexyl)methyl]-2-(4-methylphenyl)acetamide has a molecular weight of 260.38 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 106124207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).