(Z)-2-cyano-N-cyclopentyl-3-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]prop-2-enamide

C26H26Cl2N2O3 — CID 126198957

About (Z)-2-cyano-N-cyclopentyl-3-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]prop-2-enamide

(Z)-2-cyano-N-cyclopentyl-3-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]prop-2-enamide (PubChem CID 126198957) has the molecular formula C26H26Cl2N2O3 and a molecular weight of 485.41 g/mol. Its IUPAC name is (Z)-2-cyano-N-cyclopentyl-3-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]prop-2-enamide.

Molecular Properties

• Compound Name: (Z)-2-cyano-N-cyclopentyl-3-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]prop-2-enamide
• PubChem CID: 126198957
• Molecular Formula: C26H26Cl2N2O3
• Molecular Weight: 485.41 g/mol
• Exact Mass: 484.13
• IUPAC Name: (Z)-2-cyano-N-cyclopentyl-3-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]prop-2-enamide
• SMILES: C=CCc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(OC)c1OCc1ccc(Cl)cc1Cl
• InChI: InChI=1S/C26H26Cl2N2O3/c1-3-6-18-11-17(12-20(15-29)26(31)30-22-7-4-5-8-22)13-24(32-2)25(18)33-16-19-9-10-21(27)14-23(19)28/h3,9-14,22H,1,4-8,16H2,2H3,(H,30,31)/b20-12-
• InChIKey: ZUVIMWVMCVYNJF-NDENLUEZSA-N
• XLogP: 6.28
• TPSA: 71.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.41
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-cyclopentyl-3-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]prop-2-enamide?

The IUPAC name of (Z)-2-cyano-N-cyclopentyl-3-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]prop-2-enamide (CID 126198957) is (Z)-2-cyano-N-cyclopentyl-3-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]prop-2-enamide.

What is the SMILES notation for (Z)-2-cyano-N-cyclopentyl-3-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]prop-2-enamide?

The canonical SMILES for (Z)-2-cyano-N-cyclopentyl-3-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]prop-2-enamide is C=CCc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(OC)c1OCc1ccc(Cl)cc1Cl.

What is the InChIKey of (Z)-2-cyano-N-cyclopentyl-3-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]prop-2-enamide?

The InChIKey is ZUVIMWVMCVYNJF-NDENLUEZSA-N. The full InChI is InChI=1S/C26H26Cl2N2O3/c1-3-6-18-11-17(12-20(15-29)26(31)30-22-7-4-5-8-22)13-24(32-2)25(18)33-16-19-9-10-21(27)14-23(19)28/h3,9-14,22H,1,4-8,16H2,2H3,(H,30,31)/b20-12-.

What are the key properties of (Z)-2-cyano-N-cyclopentyl-3-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]prop-2-enamide?

(Z)-2-cyano-N-cyclopentyl-3-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]prop-2-enamide has a molecular weight of 485.41 g/mol, XLogP of 6.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-2-cyano-N-cyclopentyl-3-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]prop-2-enamide is sourced from PubChem (CID 126198957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).