(E)-N-(2-ethyl-6-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide

C18H18N2O3 — CID 874179

IUPAC(E)-N-(2-ethyl-6-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESCCc1cccc(C)c1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H18N2O3/c1-3-15-8-4-6-13(2)18(15)19-17(21)11-10-14-7-5-9-16(12-14)20(22)23/h4-12H,3H2,1-2H3,(H,19,21)/b11-10+
InChIKeyWCUDLARGLVZTKI-ZHACJKMWSA-N
MW310.35 g/mol
LogP4.12
Rot. Bonds5

About (E)-N-(2-ethyl-6-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide

(E)-N-(2-ethyl-6-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide (PubChem CID 874179) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is (E)-N-(2-ethyl-6-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-ethyl-6-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
PubChem CID874179
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name(E)-N-(2-ethyl-6-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESCCc1cccc(C)c1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H18N2O3/c1-3-15-8-4-6-13(2)18(15)19-17(21)11-10-14-7-5-9-16(12-14)20(22)23/h4-12H,3H2,1-2H3,(H,19,21)/b11-10+
InChIKeyWCUDLARGLVZTKI-ZHACJKMWSA-N
XLogP4.12
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.12
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'}

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Related Compounds

(E)-N-(2,6-diethylphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 6061004
(E)-N-(2,6-difluorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 51158974
N-(3-ethylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 844866
N-(2-ethyl-6-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 3643097
3-(3,4-dichlorophenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 3605032
(E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide
CID 17407260
(E)-3-(3-amino-4-fluorophenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 39419234
N-(2-hydroxy-4,5-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 3713167
N-(2-benzylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 4812357
(E)-3-(3-nitrophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5374478
(E)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(3-nitrophenyl)prop-2-enamide
CID 19346298
(E)-N-(4-chloro-2-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 881540

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-ethyl-6-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-ethyl-6-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide (CID 874179) is (E)-N-(2-ethyl-6-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-ethyl-6-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-ethyl-6-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide is CCc1cccc(C)c1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1.
What is the InChIKey of (E)-N-(2-ethyl-6-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide?
The InChIKey is WCUDLARGLVZTKI-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-3-15-8-4-6-13(2)18(15)19-17(21)11-10-14-7-5-9-16(12-14)20(22)23/h4-12H,3H2,1-2H3,(H,19,21)/b11-10+.
What are the key properties of (E)-N-(2-ethyl-6-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide?
(E)-N-(2-ethyl-6-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide has a molecular weight of 310.35 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-ethyl-6-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 874179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).