(E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-(1-phenylcyclopentyl)prop-2-enamide

C22H22N2O3 — CID 118559631

IUPAC(E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-(1-phenylcyclopentyl)prop-2-enamide
SMILESCOc1ccc(/C=C(\C#N)C(=O)NC2(c3ccccc3)CCCC2)cc1O
InChIInChI=1S/C22H22N2O3/c1-27-20-10-9-16(14-19(20)25)13-17(15-23)21(26)24-22(11-5-6-12-22)18-7-3-2-4-8-18/h2-4,7-10,13-14,25H,5-6,11-12H2,1H3,(H,24,26)/b17-13+
InChIKeyKCVDGPWBXLJQKJ-GHRIWEEISA-N
MW362.43 g/mol
LogP3.89
Rot. Bonds5

About (E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-(1-phenylcyclopentyl)prop-2-enamide

(E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-(1-phenylcyclopentyl)prop-2-enamide (PubChem CID 118559631) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is (E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-(1-phenylcyclopentyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-(1-phenylcyclopentyl)prop-2-enamide
PubChem CID118559631
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name(E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-(1-phenylcyclopentyl)prop-2-enamide
SMILESCOc1ccc(/C=C(\C#N)C(=O)NC2(c3ccccc3)CCCC2)cc1O
InChIInChI=1S/C22H22N2O3/c1-27-20-10-9-16(14-19(20)25)13-17(15-23)21(26)24-22(11-5-6-12-22)18-7-3-2-4-8-18/h2-4,7-10,13-14,25H,5-6,11-12H2,1H3,(H,24,26)/b17-13+
InChIKeyKCVDGPWBXLJQKJ-GHRIWEEISA-N
XLogP3.89
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-(1-phenylcyclopentyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Feruloyltyramine
CID 5280537
N-cis-Feruloyl tyramine
CID 6440659
Tyrphostin Ag 835
CID 5328769
Tyrphostin B44
CID 5328772
(E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(1-phenylethyl)prop-2-enamide
CID 5353388
FERULOYL-beta-PHENETHYLAMINE
CID 11162295
Isoferuloyltyramine
CID 11289949
Tyrphostin deriv. 62
CID 5328777
(E)-3-(3-hydroxy-4-methoxyphenyl)-N-(2-phenylethyl)prop-2-enamide
CID 11380951
(Z)-2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(1-phenylethyl)prop-2-enamide
CID 24761806
(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(4-phenylphenyl)prop-2-enamide
CID 44316882
(E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
CID 127049730

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-(1-phenylcyclopentyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-(1-phenylcyclopentyl)prop-2-enamide (CID 118559631) is (E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-(1-phenylcyclopentyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-(1-phenylcyclopentyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-(1-phenylcyclopentyl)prop-2-enamide is COc1ccc(/C=C(\C#N)C(=O)NC2(c3ccccc3)CCCC2)cc1O.
What is the InChIKey of (E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-(1-phenylcyclopentyl)prop-2-enamide?
The InChIKey is KCVDGPWBXLJQKJ-GHRIWEEISA-N. The full InChI is InChI=1S/C22H22N2O3/c1-27-20-10-9-16(14-19(20)25)13-17(15-23)21(26)24-22(11-5-6-12-22)18-7-3-2-4-8-18/h2-4,7-10,13-14,25H,5-6,11-12H2,1H3,(H,24,26)/b17-13+.
What are the key properties of (E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-(1-phenylcyclopentyl)prop-2-enamide?
(E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-(1-phenylcyclopentyl)prop-2-enamide has a molecular weight of 362.43 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-(1-phenylcyclopentyl)prop-2-enamide is sourced from PubChem (CID 118559631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).