(E)-N-(4-nitrophenyl)-3-(2-propoxyphenyl)prop-2-enamide

C18H18N2O4 — CID 19204245

IUPAC(E)-N-(4-nitrophenyl)-3-(2-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccccc1/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H18N2O4/c1-2-13-24-17-6-4-3-5-14(17)7-12-18(21)19-15-8-10-16(11-9-15)20(22)23/h3-12H,2,13H2,1H3,(H,19,21)/b12-7+
InChIKeyZXQFZUJDJZCWAI-KPKJPENVSA-N
MW326.35 g/mol
LogP4.04
Rot. Bonds7

About (E)-N-(4-nitrophenyl)-3-(2-propoxyphenyl)prop-2-enamide

(E)-N-(4-nitrophenyl)-3-(2-propoxyphenyl)prop-2-enamide (PubChem CID 19204245) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is (E)-N-(4-nitrophenyl)-3-(2-propoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-nitrophenyl)-3-(2-propoxyphenyl)prop-2-enamide
PubChem CID19204245
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name(E)-N-(4-nitrophenyl)-3-(2-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccccc1/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H18N2O4/c1-2-13-24-17-6-4-3-5-14(17)7-12-18(21)19-15-8-10-16(11-9-15)20(22)23/h3-12H,2,13H2,1H3,(H,19,21)/b12-7+
InChIKeyZXQFZUJDJZCWAI-KPKJPENVSA-N
XLogP4.04
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-(2-butoxyphenyl)-N-(3-nitrophenyl)prop-2-enamide
CID 5000698
3-(2-propoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 4089230
propyl 4-[3-(2-propoxyphenyl)prop-2-enoylamino]benzoate
CID 4278286
N-(3,5-dichlorophenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4278421
N-(4-morpholin-4-ylphenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4095390
N-(3-fluorophenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4278423
(E)-N-(4-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 17186941
(Z)-N-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 20834743
N-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 3127031
N-(2-butoxyphenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4081938
propyl 4-[3-(2-nitrophenyl)prop-2-enoylamino]benzoate
CID 4252749
(E)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 19165851

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-nitrophenyl)-3-(2-propoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-nitrophenyl)-3-(2-propoxyphenyl)prop-2-enamide (CID 19204245) is (E)-N-(4-nitrophenyl)-3-(2-propoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-nitrophenyl)-3-(2-propoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-nitrophenyl)-3-(2-propoxyphenyl)prop-2-enamide is CCCOc1ccccc1/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (E)-N-(4-nitrophenyl)-3-(2-propoxyphenyl)prop-2-enamide?
The InChIKey is ZXQFZUJDJZCWAI-KPKJPENVSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-2-13-24-17-6-4-3-5-14(17)7-12-18(21)19-15-8-10-16(11-9-15)20(22)23/h3-12H,2,13H2,1H3,(H,19,21)/b12-7+.
What are the key properties of (E)-N-(4-nitrophenyl)-3-(2-propoxyphenyl)prop-2-enamide?
(E)-N-(4-nitrophenyl)-3-(2-propoxyphenyl)prop-2-enamide has a molecular weight of 326.35 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-nitrophenyl)-3-(2-propoxyphenyl)prop-2-enamide is sourced from PubChem (CID 19204245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).