(E)-N-(4-nitrophenyl)-4-phenylbut-3-enamide

C16H14N2O3 — CID 62706949

IUPAC(E)-N-(4-nitrophenyl)-4-phenylbut-3-enamide
SMILESO=C(C/C=C/c1ccccc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H14N2O3/c19-16(8-4-7-13-5-2-1-3-6-13)17-14-9-11-15(12-10-14)18(20)21/h1-7,9-12H,8H2,(H,17,19)/b7-4+
InChIKeyHGCLGNISAWSSQH-QPJJXVBHSA-N
MW282.30 g/mol
LogP3.64
Rot. Bonds5

About (E)-N-(4-nitrophenyl)-4-phenylbut-3-enamide

(E)-N-(4-nitrophenyl)-4-phenylbut-3-enamide (PubChem CID 62706949) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is (E)-N-(4-nitrophenyl)-4-phenylbut-3-enamide.

Molecular Properties

Compound Name(E)-N-(4-nitrophenyl)-4-phenylbut-3-enamide
PubChem CID62706949
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name(E)-N-(4-nitrophenyl)-4-phenylbut-3-enamide
SMILESO=C(C/C=C/c1ccccc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H14N2O3/c19-16(8-4-7-13-5-2-1-3-6-13)17-14-9-11-15(12-10-14)18(20)21/h1-7,9-12H,8H2,(H,17,19)/b7-4+
InChIKeyHGCLGNISAWSSQH-QPJJXVBHSA-N
XLogP3.64
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(4-nitrophenyl)-3-phenylprop-2-enamide
CID 92909984
(E)-N-[(4-nitrophenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 5348629
N'-(benzenesulfonyl)-N-(4-nitrophenyl)propanediamide
CID 135052001
N-(4-nitrophenyl)-2-phenylsulfanylacetamide
CID 3879245
2-[2-(aminomethyl)phenyl]-N-(4-nitrophenyl)acetamide
CID 81311332
2-nitro-N-(4-nitrophenyl)acetamide
CID 19743312
(2R)-N-(4-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanamide
CID 8018779
2-(benzylamino)-N-(4-nitrophenyl)acetamide
CID 2985655
(E)-N,3-bis(4-nitrophenyl)prop-2-enamide
CID 6147286
4-chloro-N-(4-nitrophenyl)butanamide
CID 4586248
4-phenylbut-3-enehydrazide
CID 173237990
2-[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 16632905

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-nitrophenyl)-4-phenylbut-3-enamide?
The IUPAC name of (E)-N-(4-nitrophenyl)-4-phenylbut-3-enamide (CID 62706949) is (E)-N-(4-nitrophenyl)-4-phenylbut-3-enamide.
What is the SMILES notation for (E)-N-(4-nitrophenyl)-4-phenylbut-3-enamide?
The canonical SMILES for (E)-N-(4-nitrophenyl)-4-phenylbut-3-enamide is O=C(C/C=C/c1ccccc1)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (E)-N-(4-nitrophenyl)-4-phenylbut-3-enamide?
The InChIKey is HGCLGNISAWSSQH-QPJJXVBHSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-16(8-4-7-13-5-2-1-3-6-13)17-14-9-11-15(12-10-14)18(20)21/h1-7,9-12H,8H2,(H,17,19)/b7-4+.
What are the key properties of (E)-N-(4-nitrophenyl)-4-phenylbut-3-enamide?
(E)-N-(4-nitrophenyl)-4-phenylbut-3-enamide has a molecular weight of 282.30 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-nitrophenyl)-4-phenylbut-3-enamide is sourced from PubChem (CID 62706949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).