N-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide

C16H22N2O3 — CID 53491142

IUPACN-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide
SMILESCOc1cc(NC(=O)C2CCCCC2)ccc1NC(C)=O
InChIInChI=1S/C16H22N2O3/c1-11(19)17-14-9-8-13(10-15(14)21-2)18-16(20)12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyQJMHZCPVJGQZNH-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.17
Rot. Bonds4

About N-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide

N-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide (PubChem CID 53491142) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide
PubChem CID53491142
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide
SMILESCOc1cc(NC(=O)C2CCCCC2)ccc1NC(C)=O
InChIInChI=1S/C16H22N2O3/c1-11(19)17-14-9-8-13(10-15(14)21-2)18-16(20)12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyQJMHZCPVJGQZNH-UHFFFAOYSA-N
XLogP3.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide
CID 3502281
N-(4-acetamido-3-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119713245
N-(4-acetamido-3-methoxyphenyl)-3-aminocyclopentane-1-carboxamide
CID 66030500
(2S)-N-(4-acetamido-3-methoxyphenyl)piperidine-2-carboxamide
CID 103808843
N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide
CID 65023208
N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide
CID 110776805
N-(4-acetamido-3-methoxyphenyl)-2-aminocyclopentane-1-carboxamide
CID 64824304
N-(3-acetamido-4-chlorophenyl)cyclohexanecarboxamide
CID 47408126
N-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide
CID 7741672
N-[2-methoxy-4-[(1-phenylcyclopentanecarbonyl)amino]phenyl]cyclohexanecarboxamide
CID 172686489
N-(3-acetamido-4-methoxyphenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 35347425
2-(cyclohexanecarbonylamino)-N-(3,4-dimethoxyphenyl)benzamide
CID 110602595

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide?
The IUPAC name of N-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide (CID 53491142) is N-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide is COc1cc(NC(=O)C2CCCCC2)ccc1NC(C)=O.
What is the InChIKey of N-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide?
The InChIKey is QJMHZCPVJGQZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(19)17-14-9-8-13(10-15(14)21-2)18-16(20)12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide?
N-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide has a molecular weight of 290.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide is sourced from PubChem (CID 53491142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).