N-[2-(cyclohexen-1-yl)ethyl]-2-(4-nitrophenyl)propanamide

C17H22N2O3 — CID 2944638

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(4-nitrophenyl)propanamide
SMILESCC(C(=O)NCCC1=CCCCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H22N2O3/c1-13(15-7-9-16(10-8-15)19(21)22)17(20)18-12-11-14-5-3-2-4-6-14/h5,7-10,13H,2-4,6,11-12H2,1H3,(H,18,20)
InChIKeyYGMPHWPJWNDBBB-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.70
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-(4-nitrophenyl)propanamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(4-nitrophenyl)propanamide (PubChem CID 2944638) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(4-nitrophenyl)propanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(4-nitrophenyl)propanamide
PubChem CID2944638
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(4-nitrophenyl)propanamide
SMILESCC(C(=O)NCCC1=CCCCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H22N2O3/c1-13(15-7-9-16(10-8-15)19(21)22)17(20)18-12-11-14-5-3-2-4-6-14/h5,7-10,13H,2-4,6,11-12H2,1H3,(H,18,20)
InChIKeyYGMPHWPJWNDBBB-UHFFFAOYSA-N
XLogP3.70
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(cyclohexen-1-yl)ethyl]-2-(4-nitrophenyl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-nitrophenyl)propanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-nitrophenyl)propanamide (CID 2944638) is N-[2-(cyclohexen-1-yl)ethyl]-2-(4-nitrophenyl)propanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-nitrophenyl)propanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-nitrophenyl)propanamide is CC(C(=O)NCCC1=CCCCC1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-nitrophenyl)propanamide?
The InChIKey is YGMPHWPJWNDBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-13(15-7-9-16(10-8-15)19(21)22)17(20)18-12-11-14-5-3-2-4-6-14/h5,7-10,13H,2-4,6,11-12H2,1H3,(H,18,20).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-nitrophenyl)propanamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-nitrophenyl)propanamide has a molecular weight of 302.37 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-nitrophenyl)propanamide is sourced from PubChem (CID 2944638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).