(Z)-2-acetamido-3-(3-nitrophenyl)-N-prop-2-enylprop-2-enamide

C14H15N3O4 — CID 6232689

IUPAC(Z)-2-acetamido-3-(3-nitrophenyl)-N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(C)=O
InChIInChI=1S/C14H15N3O4/c1-3-7-15-14(19)13(16-10(2)18)9-11-5-4-6-12(8-11)17(20)21/h3-6,8-9H,1,7H2,2H3,(H,15,19)(H,16,18)/b13-9-
InChIKeyYLICTAKGSNHTEP-LCYFTJDESA-N
MW289.29 g/mol
LogP1.37
Rot. Bonds6

About (Z)-2-acetamido-3-(3-nitrophenyl)-N-prop-2-enylprop-2-enamide

(Z)-2-acetamido-3-(3-nitrophenyl)-N-prop-2-enylprop-2-enamide (PubChem CID 6232689) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is (Z)-2-acetamido-3-(3-nitrophenyl)-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-acetamido-3-(3-nitrophenyl)-N-prop-2-enylprop-2-enamide
PubChem CID6232689
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name(Z)-2-acetamido-3-(3-nitrophenyl)-N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(C)=O
InChIInChI=1S/C14H15N3O4/c1-3-7-15-14(19)13(16-10(2)18)9-11-5-4-6-12(8-11)17(20)21/h3-6,8-9H,1,7H2,2H3,(H,15,19)(H,16,18)/b13-9-
InChIKeyYLICTAKGSNHTEP-LCYFTJDESA-N
XLogP1.37
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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 (Z)-2-acetamido-3-(3-nitrophenyl)-N-prop-2-enylprop-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)-2-acetamido-N-methyl-3-(3-nitrophenyl)prop-2-enamide
CID 6232705
2-acetamido-N-methyl-3-(3-nitrophenyl)prop-2-enamide
CID 4926309
3-bromo-N-[1-(3-nitrophenyl)-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide
CID 2920718
2-acetamido-N-heptyl-3-(3-nitrophenyl)prop-2-enamide
CID 4926247
2-acetamido-3-(3-nitrophenyl)-N-propan-2-ylprop-2-enamide
CID 4205408
2-acetamido-N-(3,5-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 4926208
2-acetamido-N-(3,5-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 4926207
2-acetamido-3-(3-nitrophenyl)-N-(1-phenylethyl)prop-2-enamide
CID 4926221
(Z)-2-acetamido-3-(3-nitrophenyl)-N-(1-phenylpropyl)prop-2-enamide
CID 43911521
(Z)-2-acetamido-N-(2,4-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 17285822
N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-prop-2-enyloxamide
CID 40531263
1-N,4-N-bis[(E)-1-(3-nitrophenyl)-3-oxo-3-(propylamino)prop-1-en-2-yl]benzene-1,4-dicarboxamide
CID 175665284

Frequently Asked Questions

What is the IUPAC name of (Z)-2-acetamido-3-(3-nitrophenyl)-N-prop-2-enylprop-2-enamide?
The IUPAC name of (Z)-2-acetamido-3-(3-nitrophenyl)-N-prop-2-enylprop-2-enamide (CID 6232689) is (Z)-2-acetamido-3-(3-nitrophenyl)-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for (Z)-2-acetamido-3-(3-nitrophenyl)-N-prop-2-enylprop-2-enamide?
The canonical SMILES for (Z)-2-acetamido-3-(3-nitrophenyl)-N-prop-2-enylprop-2-enamide is C=CCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(C)=O.
What is the InChIKey of (Z)-2-acetamido-3-(3-nitrophenyl)-N-prop-2-enylprop-2-enamide?
The InChIKey is YLICTAKGSNHTEP-LCYFTJDESA-N. The full InChI is InChI=1S/C14H15N3O4/c1-3-7-15-14(19)13(16-10(2)18)9-11-5-4-6-12(8-11)17(20)21/h3-6,8-9H,1,7H2,2H3,(H,15,19)(H,16,18)/b13-9-.
What are the key properties of (Z)-2-acetamido-3-(3-nitrophenyl)-N-prop-2-enylprop-2-enamide?
(Z)-2-acetamido-3-(3-nitrophenyl)-N-prop-2-enylprop-2-enamide has a molecular weight of 289.29 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-acetamido-3-(3-nitrophenyl)-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 6232689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).