(Z)-2-cyano-N-(2-methylphenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propylamino]prop-2-enamide

C24H27N3O — CID 108821356

About (Z)-2-cyano-N-(2-methylphenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propylamino]prop-2-enamide

(Z)-2-cyano-N-(2-methylphenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propylamino]prop-2-enamide (PubChem CID 108821356) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2-methylphenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propylamino]prop-2-enamide.

Molecular Properties

• Compound Name: (Z)-2-cyano-N-(2-methylphenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propylamino]prop-2-enamide
• PubChem CID: 108821356
• Molecular Formula: C24H27N3O
• Molecular Weight: 373.50 g/mol
• Exact Mass: 373.22
• IUPAC Name: (Z)-2-cyano-N-(2-methylphenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propylamino]prop-2-enamide
• SMILES: CCC(N/C=C(/C#N)C(=O)Nc1ccccc1C)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C24H27N3O/c1-3-22(20-13-12-18-9-5-6-10-19(18)14-20)26-16-21(15-25)24(28)27-23-11-7-4-8-17(23)2/h4,7-8,11-14,16,22,26H,3,5-6,9-10H2,1-2H3,(H,27,28)/b21-16-
• InChIKey: UUDLVUXKFRQRSX-PGMHBOJBSA-N
• XLogP: 4.96
• TPSA: 64.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.50
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2-methylphenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propylamino]prop-2-enamide?

The IUPAC name of (Z)-2-cyano-N-(2-methylphenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propylamino]prop-2-enamide (CID 108821356) is (Z)-2-cyano-N-(2-methylphenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propylamino]prop-2-enamide.

What is the SMILES notation for (Z)-2-cyano-N-(2-methylphenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propylamino]prop-2-enamide?

The canonical SMILES for (Z)-2-cyano-N-(2-methylphenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propylamino]prop-2-enamide is CCC(N/C=C(/C#N)C(=O)Nc1ccccc1C)c1ccc2c(c1)CCCC2.

What is the InChIKey of (Z)-2-cyano-N-(2-methylphenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propylamino]prop-2-enamide?

The InChIKey is UUDLVUXKFRQRSX-PGMHBOJBSA-N. The full InChI is InChI=1S/C24H27N3O/c1-3-22(20-13-12-18-9-5-6-10-19(18)14-20)26-16-21(15-25)24(28)27-23-11-7-4-8-17(23)2/h4,7-8,11-14,16,22,26H,3,5-6,9-10H2,1-2H3,(H,27,28)/b21-16-.

What are the key properties of (Z)-2-cyano-N-(2-methylphenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propylamino]prop-2-enamide?

(Z)-2-cyano-N-(2-methylphenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propylamino]prop-2-enamide has a molecular weight of 373.50 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-2-cyano-N-(2-methylphenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propylamino]prop-2-enamide is sourced from PubChem (CID 108821356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).