(E)-N-(2-ethoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide

C17H16N2O4 — CID 889985

IUPAC(E)-N-(2-ethoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide
SMILESCCOc1ccccc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H16N2O4/c1-2-23-16-10-6-4-8-14(16)18-17(20)12-11-13-7-3-5-9-15(13)19(21)22/h3-12H,2H2,1H3,(H,18,20)/b12-11+
InChIKeyCBOQAZRBPQLFBS-VAWYXSNFSA-N
MW312.33 g/mol
LogP3.65
Rot. Bonds6

About (E)-N-(2-ethoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide

(E)-N-(2-ethoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide (PubChem CID 889985) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is (E)-N-(2-ethoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-ethoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide
PubChem CID889985
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name(E)-N-(2-ethoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide
SMILESCCOc1ccccc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H16N2O4/c1-2-23-16-10-6-4-8-14(16)18-17(20)12-11-13-7-3-5-9-15(13)19(21)22/h3-12H,2H2,1H3,(H,18,20)/b12-11+
InChIKeyCBOQAZRBPQLFBS-VAWYXSNFSA-N
XLogP3.65
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.65
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-ethoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-ethoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide (CID 889985) is (E)-N-(2-ethoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-ethoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-ethoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide is CCOc1ccccc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-].
What is the InChIKey of (E)-N-(2-ethoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide?
The InChIKey is CBOQAZRBPQLFBS-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-2-23-16-10-6-4-8-14(16)18-17(20)12-11-13-7-3-5-9-15(13)19(21)22/h3-12H,2H2,1H3,(H,18,20)/b12-11+.
What are the key properties of (E)-N-(2-ethoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide?
(E)-N-(2-ethoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide has a molecular weight of 312.33 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-ethoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 889985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).