2-acetamido-3-(3-nitrophenyl)-N-(1-phenylethyl)prop-2-enamide

C19H19N3O4 — CID 4926221

IUPAC2-acetamido-3-(3-nitrophenyl)-N-(1-phenylethyl)prop-2-enamide
SMILESCC(=O)NC(=Cc1cccc([N+](=O)[O-])c1)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C19H19N3O4/c1-13(16-8-4-3-5-9-16)20-19(24)18(21-14(2)23)12-15-7-6-10-17(11-15)22(25)26/h3-13H,1-2H3,(H,20,24)(H,21,23)
InChIKeyXIQAOBOQZIDLOG-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.95
Rot. Bonds6

About 2-acetamido-3-(3-nitrophenyl)-N-(1-phenylethyl)prop-2-enamide

2-acetamido-3-(3-nitrophenyl)-N-(1-phenylethyl)prop-2-enamide (PubChem CID 4926221) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-acetamido-3-(3-nitrophenyl)-N-(1-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name2-acetamido-3-(3-nitrophenyl)-N-(1-phenylethyl)prop-2-enamide
PubChem CID4926221
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name2-acetamido-3-(3-nitrophenyl)-N-(1-phenylethyl)prop-2-enamide
SMILESCC(=O)NC(=Cc1cccc([N+](=O)[O-])c1)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C19H19N3O4/c1-13(16-8-4-3-5-9-16)20-19(24)18(21-14(2)23)12-15-7-6-10-17(11-15)22(25)26/h3-13H,1-2H3,(H,20,24)(H,21,23)
InChIKeyXIQAOBOQZIDLOG-UHFFFAOYSA-N
XLogP2.95
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-acetamido-3-(3-nitrophenyl)-N-(1-phenylethyl)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

2-acetamido-3-(3-nitrophenyl)-N-propan-2-ylprop-2-enamide
CID 4205408
(Z)-2-acetamido-3-(3-nitrophenyl)-N-(1-phenylpropyl)prop-2-enamide
CID 43911521
2-acetamido-N-methyl-3-(3-nitrophenyl)prop-2-enamide
CID 4926309
(E)-2-acetamido-N-methyl-3-(3-nitrophenyl)prop-2-enamide
CID 6232705
2-[[(Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]propanoic acid
CID 21158706
(2R)-2-[[(E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]propanoate
CID 7241531
2-acetamido-N-(3,5-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 4926208
(Z)-2-acetamido-3-(3-nitrophenyl)-N-prop-2-enylprop-2-enamide
CID 6232689
2-acetamido-N-(3,5-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 4926207
(E)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 30394970
2-[[2-[(2-bromobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]propanoic acid
CID 2908310
(Z)-2-acetamido-N-(2,4-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 17285822

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(3-nitrophenyl)-N-(1-phenylethyl)prop-2-enamide?
The IUPAC name of 2-acetamido-3-(3-nitrophenyl)-N-(1-phenylethyl)prop-2-enamide (CID 4926221) is 2-acetamido-3-(3-nitrophenyl)-N-(1-phenylethyl)prop-2-enamide.
What is the SMILES notation for 2-acetamido-3-(3-nitrophenyl)-N-(1-phenylethyl)prop-2-enamide?
The canonical SMILES for 2-acetamido-3-(3-nitrophenyl)-N-(1-phenylethyl)prop-2-enamide is CC(=O)NC(=Cc1cccc([N+](=O)[O-])c1)C(=O)NC(C)c1ccccc1.
What is the InChIKey of 2-acetamido-3-(3-nitrophenyl)-N-(1-phenylethyl)prop-2-enamide?
The InChIKey is XIQAOBOQZIDLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-13(16-8-4-3-5-9-16)20-19(24)18(21-14(2)23)12-15-7-6-10-17(11-15)22(25)26/h3-13H,1-2H3,(H,20,24)(H,21,23).
What are the key properties of 2-acetamido-3-(3-nitrophenyl)-N-(1-phenylethyl)prop-2-enamide?
2-acetamido-3-(3-nitrophenyl)-N-(1-phenylethyl)prop-2-enamide has a molecular weight of 353.38 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(3-nitrophenyl)-N-(1-phenylethyl)prop-2-enamide is sourced from PubChem (CID 4926221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).