(E)-N-[1-(4-ethylphenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide

C19H20N2O3 — CID 17327125

IUPAC(E)-N-[1-(4-ethylphenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide
SMILESCCc1ccc(C(C)NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C19H20N2O3/c1-3-15-8-10-16(11-9-15)14(2)20-19(22)13-12-17-6-4-5-7-18(17)21(23)24/h4-14H,3H2,1-2H3,(H,20,22)/b13-12+
InChIKeyVETXGDFQXVYWOZ-OUKQBFOZSA-N
MW324.38 g/mol
LogP4.05
Rot. Bonds6

About (E)-N-[1-(4-ethylphenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide

(E)-N-[1-(4-ethylphenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide (PubChem CID 17327125) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (E)-N-[1-(4-ethylphenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(4-ethylphenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide
PubChem CID17327125
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(E)-N-[1-(4-ethylphenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide
SMILESCCc1ccc(C(C)NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C19H20N2O3/c1-3-15-8-10-16(11-9-15)14(2)20-19(22)13-12-17-6-4-5-7-18(17)21(23)24/h4-14H,3H2,1-2H3,(H,20,22)/b13-12+
InChIKeyVETXGDFQXVYWOZ-OUKQBFOZSA-N
XLogP4.05
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.05
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

N-(4-hydroxybutan-2-yl)-3-(2-nitrophenyl)prop-2-enamide
CID 3095163
(E)-N-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide
CID 37467981
(E)-3-(2-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide
CID 889264
(Z)-3-(2-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide
CID 2186661
4-[3-(2-nitrophenyl)prop-2-enoylamino]pentanoic acid
CID 77020458
2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]pentanoic acid
CID 43630377
3-(2-nitrophenyl)-N-(2-phenylpropyl)prop-2-enamide
CID 75127327
(4-propan-2-ylphenyl)methyl (E)-3-(2-nitrophenyl)prop-2-enoate
CID 7794930
[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 46790248
[2-(4-ethylanilino)-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate
CID 2534012
(E)-N'-acetyl-3-(2-nitrophenyl)prop-2-enehydrazide
CID 30769477
1-(4-ethylphenyl)-N-[(2-nitrophenyl)methyl]ethanamine
CID 43223746

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(4-ethylphenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[1-(4-ethylphenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide (CID 17327125) is (E)-N-[1-(4-ethylphenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[1-(4-ethylphenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[1-(4-ethylphenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide is CCc1ccc(C(C)NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of (E)-N-[1-(4-ethylphenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide?
The InChIKey is VETXGDFQXVYWOZ-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-15-8-10-16(11-9-15)14(2)20-19(22)13-12-17-6-4-5-7-18(17)21(23)24/h4-14H,3H2,1-2H3,(H,20,22)/b13-12+.
What are the key properties of (E)-N-[1-(4-ethylphenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide?
(E)-N-[1-(4-ethylphenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide has a molecular weight of 324.38 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(4-ethylphenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 17327125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).