3-(4-nitrophenyl)-3-oxo-N,N-bis(prop-2-enyl)propanamide

C15H16N2O4 — CID 102359684

IUPAC3-(4-nitrophenyl)-3-oxo-N,N-bis(prop-2-enyl)propanamide
SMILESC=CCN(CC=C)C(=O)CC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H16N2O4/c1-3-9-16(10-4-2)15(19)11-14(18)12-5-7-13(8-6-12)17(20)21/h3-8H,1-2,9-11H2
InChIKeyJUMLPNZQOFLCLY-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.37
Rot. Bonds8

About 3-(4-nitrophenyl)-3-oxo-N,N-bis(prop-2-enyl)propanamide

3-(4-nitrophenyl)-3-oxo-N,N-bis(prop-2-enyl)propanamide (PubChem CID 102359684) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-(4-nitrophenyl)-3-oxo-N,N-bis(prop-2-enyl)propanamide.

Molecular Properties

Compound Name3-(4-nitrophenyl)-3-oxo-N,N-bis(prop-2-enyl)propanamide
PubChem CID102359684
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-(4-nitrophenyl)-3-oxo-N,N-bis(prop-2-enyl)propanamide
SMILESC=CCN(CC=C)C(=O)CC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H16N2O4/c1-3-9-16(10-4-2)15(19)11-14(18)12-5-7-13(8-6-12)17(20)21/h3-8H,1-2,9-11H2
InChIKeyJUMLPNZQOFLCLY-UHFFFAOYSA-N
XLogP2.37
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-nitrophenyl)but-3-en-1-one
CID 11735654
N-(2-hydroxyethyl)-2-(4-nitrophenyl)-N-prop-2-enylacetamide
CID 115775556
2-(2,4-dinitrophenyl)-N,N-bis(prop-2-enyl)acetamide
CID 4628427
N-[(1-methylpyrrol-2-yl)methyl]-4-nitro-N-prop-2-enylbenzamide
CID 42759910
4,4,4-trifluoro-1-(4-nitrophenyl)butane-1,3-dione
CID 11065204
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-amino-5-nitrobenzoate
CID 7990123
1-(4-nitrophenyl)-2-[4-[4-[2-(4-nitrophenyl)-2-oxoethyl]phenyl]phenyl]ethanone
CID 159718467
[2-(4-nitrophenyl)-2-oxoethyl]carbamic acid
CID 151942284
N-methyl-4-nitro-N-prop-2-enylaniline
CID 19702684
prop-2-enyl 2-(4-nitrophenyl)-2-oxoacetate
CID 15093892
3-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-4-nitrobenzoate
CID 9118651
N-formyl-4-nitrobenzamide
CID 12550339

Frequently Asked Questions

What is the IUPAC name of 3-(4-nitrophenyl)-3-oxo-N,N-bis(prop-2-enyl)propanamide?
The IUPAC name of 3-(4-nitrophenyl)-3-oxo-N,N-bis(prop-2-enyl)propanamide (CID 102359684) is 3-(4-nitrophenyl)-3-oxo-N,N-bis(prop-2-enyl)propanamide.
What is the SMILES notation for 3-(4-nitrophenyl)-3-oxo-N,N-bis(prop-2-enyl)propanamide?
The canonical SMILES for 3-(4-nitrophenyl)-3-oxo-N,N-bis(prop-2-enyl)propanamide is C=CCN(CC=C)C(=O)CC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-(4-nitrophenyl)-3-oxo-N,N-bis(prop-2-enyl)propanamide?
The InChIKey is JUMLPNZQOFLCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-3-9-16(10-4-2)15(19)11-14(18)12-5-7-13(8-6-12)17(20)21/h3-8H,1-2,9-11H2.
What are the key properties of 3-(4-nitrophenyl)-3-oxo-N,N-bis(prop-2-enyl)propanamide?
3-(4-nitrophenyl)-3-oxo-N,N-bis(prop-2-enyl)propanamide has a molecular weight of 288.30 g/mol, XLogP of 2.37, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-nitrophenyl)-3-oxo-N,N-bis(prop-2-enyl)propanamide is sourced from PubChem (CID 102359684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).