(E)-N-[1-(4-methylphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide

C19H20N2O3 — CID 17328319

IUPAC(E)-N-[1-(4-methylphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide
SMILESCCC(NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1
InChIInChI=1S/C19H20N2O3/c1-3-18(16-9-4-14(2)5-10-16)20-19(22)13-8-15-6-11-17(12-7-15)21(23)24/h4-13,18H,3H2,1-2H3,(H,20,22)/b13-8+
InChIKeyRXKQDXVUQSNBLQ-MDWZMJQESA-N
MW324.38 g/mol
LogP4.18
Rot. Bonds6

About (E)-N-[1-(4-methylphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide

(E)-N-[1-(4-methylphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 17328319) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (E)-N-[1-(4-methylphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(4-methylphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide
PubChem CID17328319
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(E)-N-[1-(4-methylphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide
SMILESCCC(NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1
InChIInChI=1S/C19H20N2O3/c1-3-18(16-9-4-14(2)5-10-16)20-19(22)13-8-15-6-11-17(12-7-15)21(23)24/h4-13,18H,3H2,1-2H3,(H,20,22)/b13-8+
InChIKeyRXKQDXVUQSNBLQ-MDWZMJQESA-N
XLogP4.18
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.18
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)-N-[1-(4-methylphenyl)propyl]-3-(4-nitrophenyl)prop-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

(E)-N-[1-(4-methoxyphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide
CID 43916276
(E)-N-[1-(4-methylphenyl)propyl]-3-(3-nitrophenyl)prop-2-enamide
CID 17328320
[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] (E)-3-(4-nitrophenyl)prop-2-enoate
CID 7852521
(E)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide
CID 100701224
(E)-3-(4-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)propyl]prop-2-enamide
CID 844531
(E)-N-(1-aminobutan-2-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 65193675
N-[1-(4-methylphenyl)propyl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 18189683
(E)-3-(2-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide
CID 92680336
(E)-3-(3,5-dimethoxyphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide
CID 9091058
(1E,4E)-1-(4-methylphenyl)-5-(4-nitrophenyl)penta-1,4-dien-3-one
CID 13188494
(E)-3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide
CID 9297361
(E)-N-[(1R)-1-(4-methylphenyl)propyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide
CID 9091069

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(4-methylphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[1-(4-methylphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide (CID 17328319) is (E)-N-[1-(4-methylphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[1-(4-methylphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[1-(4-methylphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide is CCC(NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1.
What is the InChIKey of (E)-N-[1-(4-methylphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is RXKQDXVUQSNBLQ-MDWZMJQESA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-18(16-9-4-14(2)5-10-16)20-19(22)13-8-15-6-11-17(12-7-15)21(23)24/h4-13,18H,3H2,1-2H3,(H,20,22)/b13-8+.
What are the key properties of (E)-N-[1-(4-methylphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide?
(E)-N-[1-(4-methylphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide has a molecular weight of 324.38 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(4-methylphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 17328319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).