(2E,4E)-2-cyano-5-(2-methoxyphenyl)-N-(1-phenylethyl)penta-2,4-dienamide

C21H20N2O2 — CID 6520369

IUPAC(2E,4E)-2-cyano-5-(2-methoxyphenyl)-N-(1-phenylethyl)penta-2,4-dienamide
SMILESCOc1ccccc1/C=C/C=C(\C#N)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C21H20N2O2/c1-16(17-9-4-3-5-10-17)23-21(24)19(15-22)13-8-12-18-11-6-7-14-20(18)25-2/h3-14,16H,1-2H3,(H,23,24)/b12-8+,19-13+
InChIKeyQSRLZWGLQVCGBJ-FWBOJEOFSA-N
MW332.40 g/mol
LogP4.04
Rot. Bonds6

About (2E,4E)-2-cyano-5-(2-methoxyphenyl)-N-(1-phenylethyl)penta-2,4-dienamide

(2E,4E)-2-cyano-5-(2-methoxyphenyl)-N-(1-phenylethyl)penta-2,4-dienamide (PubChem CID 6520369) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is (2E,4E)-2-cyano-5-(2-methoxyphenyl)-N-(1-phenylethyl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-2-cyano-5-(2-methoxyphenyl)-N-(1-phenylethyl)penta-2,4-dienamide
PubChem CID6520369
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name(2E,4E)-2-cyano-5-(2-methoxyphenyl)-N-(1-phenylethyl)penta-2,4-dienamide
SMILESCOc1ccccc1/C=C/C=C(\C#N)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C21H20N2O2/c1-16(17-9-4-3-5-10-17)23-21(24)19(15-22)13-8-12-18-11-6-7-14-20(18)25-2/h3-14,16H,1-2H3,(H,23,24)/b12-8+,19-13+
InChIKeyQSRLZWGLQVCGBJ-FWBOJEOFSA-N
XLogP4.04
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-cyano-5-(2-methoxyphenyl)-N-(1-phenylethyl)penta-2,4-dienamide?
The IUPAC name of (2E,4E)-2-cyano-5-(2-methoxyphenyl)-N-(1-phenylethyl)penta-2,4-dienamide (CID 6520369) is (2E,4E)-2-cyano-5-(2-methoxyphenyl)-N-(1-phenylethyl)penta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-2-cyano-5-(2-methoxyphenyl)-N-(1-phenylethyl)penta-2,4-dienamide?
The canonical SMILES for (2E,4E)-2-cyano-5-(2-methoxyphenyl)-N-(1-phenylethyl)penta-2,4-dienamide is COc1ccccc1/C=C/C=C(\C#N)C(=O)NC(C)c1ccccc1.
What is the InChIKey of (2E,4E)-2-cyano-5-(2-methoxyphenyl)-N-(1-phenylethyl)penta-2,4-dienamide?
The InChIKey is QSRLZWGLQVCGBJ-FWBOJEOFSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-16(17-9-4-3-5-10-17)23-21(24)19(15-22)13-8-12-18-11-6-7-14-20(18)25-2/h3-14,16H,1-2H3,(H,23,24)/b12-8+,19-13+.
What are the key properties of (2E,4E)-2-cyano-5-(2-methoxyphenyl)-N-(1-phenylethyl)penta-2,4-dienamide?
(2E,4E)-2-cyano-5-(2-methoxyphenyl)-N-(1-phenylethyl)penta-2,4-dienamide has a molecular weight of 332.40 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-cyano-5-(2-methoxyphenyl)-N-(1-phenylethyl)penta-2,4-dienamide is sourced from PubChem (CID 6520369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).