N-methyl-N-[4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]acetamide

C24H28N2O — CID 17239030

About N-methyl-N-[4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]acetamide

N-methyl-N-[4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]acetamide (PubChem CID 17239030) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is N-methyl-N-[4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]acetamide.

Molecular Properties

• Compound Name: N-methyl-N-[4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]acetamide
• PubChem CID: 17239030
• Molecular Formula: C24H28N2O
• Molecular Weight: 360.50 g/mol
• Exact Mass: 360.22
• IUPAC Name: N-methyl-N-[4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]acetamide
• SMILES: CC(=O)N(C)c1ccc2c(c1)C1C=CCC1C(c1ccc(C(C)C)cc1)N2
• InChI: InChI=1S/C24H28N2O/c1-15(2)17-8-10-18(11-9-17)24-21-7-5-6-20(21)22-14-19(26(4)16(3)27)12-13-23(22)25-24/h5-6,8-15,20-21,24-25H,7H2,1-4H3
• InChIKey: DBPCLRFFHISVME-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	360.50
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_alk_ene(51)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]acetamide?

The IUPAC name of N-methyl-N-[4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]acetamide (CID 17239030) is N-methyl-N-[4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]acetamide.

What is the SMILES notation for N-methyl-N-[4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]acetamide?

The canonical SMILES for N-methyl-N-[4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]acetamide is CC(=O)N(C)c1ccc2c(c1)C1C=CCC1C(c1ccc(C(C)C)cc1)N2.

What is the InChIKey of N-methyl-N-[4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]acetamide?

The InChIKey is DBPCLRFFHISVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-15(2)17-8-10-18(11-9-17)24-21-7-5-6-20(21)22-14-19(26(4)16(3)27)12-13-23(22)25-24/h5-6,8-15,20-21,24-25H,7H2,1-4H3.

What are the key properties of N-methyl-N-[4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]acetamide?

N-methyl-N-[4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]acetamide has a molecular weight of 360.50 g/mol, XLogP of 5.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]acetamide is sourced from PubChem (CID 17239030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).