N-(2-acetamido-5-methylphenyl)-3-aminocyclohexane-1-carboxamide

C16H23N3O2 — CID 119707704

IUPACN-(2-acetamido-5-methylphenyl)-3-aminocyclohexane-1-carboxamide
SMILESCC(=O)Nc1ccc(C)cc1NC(=O)C1CCCC(N)C1
InChIInChI=1S/C16H23N3O2/c1-10-6-7-14(18-11(2)20)15(8-10)19-16(21)12-4-3-5-13(17)9-12/h6-8,12-13H,3-5,9,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyNYBOKUCSPPAVCC-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.41
Rot. Bonds3

About N-(2-acetamido-5-methylphenyl)-3-aminocyclohexane-1-carboxamide

N-(2-acetamido-5-methylphenyl)-3-aminocyclohexane-1-carboxamide (PubChem CID 119707704) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(2-acetamido-5-methylphenyl)-3-aminocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-acetamido-5-methylphenyl)-3-aminocyclohexane-1-carboxamide
PubChem CID119707704
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(2-acetamido-5-methylphenyl)-3-aminocyclohexane-1-carboxamide
SMILESCC(=O)Nc1ccc(C)cc1NC(=O)C1CCCC(N)C1
InChIInChI=1S/C16H23N3O2/c1-10-6-7-14(18-11(2)20)15(8-10)19-16(21)12-4-3-5-13(17)9-12/h6-8,12-13H,3-5,9,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyNYBOKUCSPPAVCC-UHFFFAOYSA-N
XLogP2.41
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-fluoro-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119675270
3-amino-N-(2-chloro-5-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119705338
3-amino-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 66030675
N-(5-acetamido-2-methylphenyl)-3-aminocyclohexane-1-carboxamide
CID 63043939
3-amino-N-(4-methyl-2-propoxyphenyl)cyclohexane-1-carboxamide
CID 63042176
3-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 63042143
N-(5-acetamido-2-chlorophenyl)-3-aminocyclohexane-1-carboxamide
CID 119707616
3-amino-N-(3,5-dimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673929
N-(5-acetamido-2-fluorophenyl)-3-aminocyclohexane-1-carboxamide;hydrochloride
CID 119705036
3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 63042489
3-amino-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119670922
3-amino-N-(3-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 55146162

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-5-methylphenyl)-3-aminocyclohexane-1-carboxamide?
The IUPAC name of N-(2-acetamido-5-methylphenyl)-3-aminocyclohexane-1-carboxamide (CID 119707704) is N-(2-acetamido-5-methylphenyl)-3-aminocyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-acetamido-5-methylphenyl)-3-aminocyclohexane-1-carboxamide?
The canonical SMILES for N-(2-acetamido-5-methylphenyl)-3-aminocyclohexane-1-carboxamide is CC(=O)Nc1ccc(C)cc1NC(=O)C1CCCC(N)C1.
What is the InChIKey of N-(2-acetamido-5-methylphenyl)-3-aminocyclohexane-1-carboxamide?
The InChIKey is NYBOKUCSPPAVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10-6-7-14(18-11(2)20)15(8-10)19-16(21)12-4-3-5-13(17)9-12/h6-8,12-13H,3-5,9,17H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(2-acetamido-5-methylphenyl)-3-aminocyclohexane-1-carboxamide?
N-(2-acetamido-5-methylphenyl)-3-aminocyclohexane-1-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-5-methylphenyl)-3-aminocyclohexane-1-carboxamide is sourced from PubChem (CID 119707704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).