(E)-N-(3-cyanophenyl)-3-(2-methoxyphenyl)prop-2-enamide

C17H14N2O2 — CID 2707623

IUPAC(E)-N-(3-cyanophenyl)-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C17H14N2O2/c1-21-16-8-3-2-6-14(16)9-10-17(20)19-15-7-4-5-13(11-15)12-18/h2-11H,1H3,(H,19,20)/b10-9+
InChIKeyVBTBYVVGISFGFJ-MDZDMXLPSA-N
MW278.31 g/mol
LogP3.22
Rot. Bonds4

About (E)-N-(3-cyanophenyl)-3-(2-methoxyphenyl)prop-2-enamide

(E)-N-(3-cyanophenyl)-3-(2-methoxyphenyl)prop-2-enamide (PubChem CID 2707623) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is (E)-N-(3-cyanophenyl)-3-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-cyanophenyl)-3-(2-methoxyphenyl)prop-2-enamide
PubChem CID2707623
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name(E)-N-(3-cyanophenyl)-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C17H14N2O2/c1-21-16-8-3-2-6-14(16)9-10-17(20)19-15-7-4-5-13(11-15)12-18/h2-11H,1H3,(H,19,20)/b10-9+
InChIKeyVBTBYVVGISFGFJ-MDZDMXLPSA-N
XLogP3.22
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyanophenyl)-3-naphthalen-1-ylprop-2-enamide
CID 681397
(E)-N-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 9096903
N-[(4-cyanophenyl)carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 926956
(E)-N-(4-cyanophenyl)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 26701108
N-(3-cyanophenyl)but-2-enamide
CID 72539251
(E)-N-(4-iodophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 1308180
N-(4-cyanophenyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 3516334
5-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-2-methylbenzoic acid
CID 17297353
(E)-3-(2-chlorophenyl)-N-[(3-cyanophenyl)carbamothioyl]prop-2-enamide
CID 926921
2-[[3-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzoyl]amino]benzoic acid
CID 9321006
2-cyano-N-[3-[[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]methyl]phenyl]acetamide
CID 108924171
(E)-N-(5-acetamido-2-methoxyphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 26243278

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-cyanophenyl)-3-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-cyanophenyl)-3-(2-methoxyphenyl)prop-2-enamide (CID 2707623) is (E)-N-(3-cyanophenyl)-3-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-cyanophenyl)-3-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-cyanophenyl)-3-(2-methoxyphenyl)prop-2-enamide is COc1ccccc1/C=C/C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of (E)-N-(3-cyanophenyl)-3-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is VBTBYVVGISFGFJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-21-16-8-3-2-6-14(16)9-10-17(20)19-15-7-4-5-13(11-15)12-18/h2-11H,1H3,(H,19,20)/b10-9+.
What are the key properties of (E)-N-(3-cyanophenyl)-3-(2-methoxyphenyl)prop-2-enamide?
(E)-N-(3-cyanophenyl)-3-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 278.31 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-cyanophenyl)-3-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 2707623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).