N-(2,3-dimethylcyclohexyl)-2-(4-nitrophenyl)acetamide

C16H22N2O3 — CID 51165974

IUPACN-(2,3-dimethylcyclohexyl)-2-(4-nitrophenyl)acetamide
SMILESCC1CCCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1C
InChIInChI=1S/C16H22N2O3/c1-11-4-3-5-15(12(11)2)17-16(19)10-13-6-8-14(9-7-13)18(20)21/h6-9,11-12,15H,3-5,10H2,1-2H3,(H,17,19)
InChIKeyCQPKMSUZSXREES-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.08
Rot. Bonds4

About N-(2,3-dimethylcyclohexyl)-2-(4-nitrophenyl)acetamide

N-(2,3-dimethylcyclohexyl)-2-(4-nitrophenyl)acetamide (PubChem CID 51165974) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-(4-nitrophenyl)acetamide
PubChem CID51165974
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-(4-nitrophenyl)acetamide
SMILESCC1CCCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1C
InChIInChI=1S/C16H22N2O3/c1-11-4-3-5-15(12(11)2)17-16(19)10-13-6-8-14(9-7-13)18(20)21/h6-9,11-12,15H,3-5,10H2,1-2H3,(H,17,19)
InChIKeyCQPKMSUZSXREES-UHFFFAOYSA-N
XLogP3.08
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2,3-dimethylcyclohexyl)-2-(4-nitrophenyl)acetamide 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-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(4-nitrophenoxy)acetamide
CID 11907144
N-(2,3-dimethylcyclohexyl)-4-nitrobenzamide
CID 3684866
[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 5-(4-nitrophenyl)furan-2-carboxylate
CID 11913589
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 11930160
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 11930158
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(3-nitroanilino)acetamide
CID 11924611
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-(2-formyl-4-nitrophenoxy)acetamide
CID 11925852
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 11933778
2-(2-chloro-4-nitrophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11907226
1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-3-[(4-nitrobenzoyl)amino]thiourea
CID 11946097
N-cyclopropyl-2-(4-nitrophenyl)acetamide
CID 4249885
2-(3,4-dichlorophenyl)-N-(2,3-dimethylcyclohexyl)acetamide
CID 18206629

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(4-nitrophenyl)acetamide (CID 51165974) is N-(2,3-dimethylcyclohexyl)-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-(4-nitrophenyl)acetamide is CC1CCCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-(4-nitrophenyl)acetamide?
The InChIKey is CQPKMSUZSXREES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-4-3-5-15(12(11)2)17-16(19)10-13-6-8-14(9-7-13)18(20)21/h6-9,11-12,15H,3-5,10H2,1-2H3,(H,17,19).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-(4-nitrophenyl)acetamide?
N-(2,3-dimethylcyclohexyl)-2-(4-nitrophenyl)acetamide has a molecular weight of 290.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 51165974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).