(E)-3-(4-nitrophenyl)-N-propylprop-2-enamide

C12H14N2O3 — CID 6259038

IUPAC(E)-3-(4-nitrophenyl)-N-propylprop-2-enamide
SMILESCCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H14N2O3/c1-2-9-13-12(15)8-5-10-3-6-11(7-4-10)14(16)17/h3-8H,2,9H2,1H3,(H,13,15)/b8-5+
InChIKeyGHYKZGICYMRAGB-VMPITWQZSA-N
MW234.26 g/mol
LogP2.13
Rot. Bonds5

About (E)-3-(4-nitrophenyl)-N-propylprop-2-enamide

(E)-3-(4-nitrophenyl)-N-propylprop-2-enamide (PubChem CID 6259038) has the molecular formula C12H14N2O3 and a molecular weight of 234.26 g/mol. Its IUPAC name is (E)-3-(4-nitrophenyl)-N-propylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-nitrophenyl)-N-propylprop-2-enamide
PubChem CID6259038
Molecular FormulaC12H14N2O3
Molecular Weight234.26 g/mol
Exact Mass234.10
IUPAC Name(E)-3-(4-nitrophenyl)-N-propylprop-2-enamide
SMILESCCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H14N2O3/c1-2-9-13-12(15)8-5-10-3-6-11(7-4-10)14(16)17/h3-8H,2,9H2,1H3,(H,13,15)/b8-5+
InChIKeyGHYKZGICYMRAGB-VMPITWQZSA-N
XLogP2.13
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-3-(4-nitrophenyl)-N-propylprop-2-enamide 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-(3-methylbutyl)-3-(4-nitrophenyl)prop-2-enamide
CID 2837045
2-methyl-N-[2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]ethyl]propanamide
CID 32969553
N-[3-(dimethylamino)propyl]-3-(4-nitrophenyl)prop-2-enamide
CID 2873871
(E)-N-(3-aminobutyl)-3-(4-nitrophenyl)prop-2-enamide
CID 55168553
(E)-N-hex-5-ynyl-3-(4-nitrophenyl)prop-2-enamide
CID 103758070
3-(4-nitrophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide
CID 2873741
(E)-3-(4-nitrophenyl)-N-[3-[4-[3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide
CID 6075459
(E)-3-(4-fluorophenyl)-N-[2-(4-nitroanilino)ethyl]prop-2-enamide
CID 9308502
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 613031
(E)-N-(2-cyclopentylsulfanylethyl)-3-(4-nitrophenyl)prop-2-enamide
CID 94101564
N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 76858235
N-(2,3-dihydroxypropyl)-3-(4-nitrophenyl)prop-2-enamide
CID 77114099

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-nitrophenyl)-N-propylprop-2-enamide?
The IUPAC name of (E)-3-(4-nitrophenyl)-N-propylprop-2-enamide (CID 6259038) is (E)-3-(4-nitrophenyl)-N-propylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-nitrophenyl)-N-propylprop-2-enamide?
The canonical SMILES for (E)-3-(4-nitrophenyl)-N-propylprop-2-enamide is CCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (E)-3-(4-nitrophenyl)-N-propylprop-2-enamide?
The InChIKey is GHYKZGICYMRAGB-VMPITWQZSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-2-9-13-12(15)8-5-10-3-6-11(7-4-10)14(16)17/h3-8H,2,9H2,1H3,(H,13,15)/b8-5+.
What are the key properties of (E)-3-(4-nitrophenyl)-N-propylprop-2-enamide?
(E)-3-(4-nitrophenyl)-N-propylprop-2-enamide has a molecular weight of 234.26 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-nitrophenyl)-N-propylprop-2-enamide is sourced from PubChem (CID 6259038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).