N-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-methylphenyl)acetamide

C17H26N2O — CID 63767805

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NC2(CN)CCC(C)CC2)cc1
InChIInChI=1S/C17H26N2O/c1-13-3-5-15(6-4-13)11-16(20)19-17(12-18)9-7-14(2)8-10-17/h3-6,14H,7-12,18H2,1-2H3,(H,19,20)
InChIKeyJROMRUQAFUHYFR-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.56
Rot. Bonds4

About N-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-methylphenyl)acetamide

N-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-methylphenyl)acetamide (PubChem CID 63767805) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-methylphenyl)acetamide
PubChem CID63767805
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NC2(CN)CCC(C)CC2)cc1
InChIInChI=1S/C17H26N2O/c1-13-3-5-15(6-4-13)11-16(20)19-17(12-18)9-7-14(2)8-10-17/h3-6,14H,7-12,18H2,1-2H3,(H,19,20)
InChIKeyJROMRUQAFUHYFR-UHFFFAOYSA-N
XLogP2.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-(4-methylphenyl)acetamide
CID 62527500
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(4-methylphenyl)acetamide
CID 62527537
N-[1-(aminomethyl)-4-methylcyclohexyl]butanamide
CID 63766676
2-(3,4-dimethylphenyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide
CID 62538809
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-fluoro-5-methylbenzamide
CID 63766481
1-[1-(aminomethyl)-4-methylcyclohexyl]-3-benzylurea
CID 107653310
N-[1-(chloromethyl)-4-methylcyclohexyl]-2-(2,5-dimethylphenyl)acetamide
CID 114304371
N-[1-(aminomethyl)cyclopentyl]-2-(4-phenylphenyl)acetamide
CID 119564798
N-[1-(aminomethyl)cyclopentyl]-2-[4-(2-methylpropyl)phenyl]acetamide
CID 119566852
N-[1-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide
CID 119568183
N-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dimethylbenzamide
CID 63766094
N-[1-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)acetamide;hydrochloride
CID 119564832

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-methylphenyl)acetamide (CID 63767805) is N-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)NC2(CN)CCC(C)CC2)cc1.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-methylphenyl)acetamide?
The InChIKey is JROMRUQAFUHYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-3-5-15(6-4-13)11-16(20)19-17(12-18)9-7-14(2)8-10-17/h3-6,14H,7-12,18H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-methylphenyl)acetamide?
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-methylphenyl)acetamide has a molecular weight of 274.41 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 63767805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).