2-cyclopentyl-N-[2-methyl-3-(3-oxopropyl)phenyl]-2-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide

C30H31F3N2O2 — CID 145102004

About 2-cyclopentyl-N-[2-methyl-3-(3-oxopropyl)phenyl]-2-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide

2-cyclopentyl-N-[2-methyl-3-(3-oxopropyl)phenyl]-2-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide (PubChem CID 145102004) has the molecular formula C30H31F3N2O2 and a molecular weight of 508.58 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2-methyl-3-(3-oxopropyl)phenyl]-2-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-cyclopentyl-N-[2-methyl-3-(3-oxopropyl)phenyl]-2-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide
• PubChem CID: 145102004
• Molecular Formula: C30H31F3N2O2
• Molecular Weight: 508.58 g/mol
• Exact Mass: 508.23
• IUPAC Name: 2-cyclopentyl-N-[2-methyl-3-(3-oxopropyl)phenyl]-2-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide
• SMILES: Cc1ncc(-c2ccc(C(C(=O)Nc3cccc(CCC=O)c3C)C3CCCC3)cc2)cc1C(F)(F)F
• InChI: InChI=1S/C30H31F3N2O2/c1-19-21(10-6-16-36)9-5-11-27(19)35-29(37)28(23-7-3-4-8-23)24-14-12-22(13-15-24)25-17-26(30(31,32)33)20(2)34-18-25/h5,9,11-18,23,28H,3-4,6-8,10H2,1-2H3,(H,35,37)
• InChIKey: QEVXGKOOZASMIF-UHFFFAOYSA-N
• XLogP: 7.43
• TPSA: 59.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.58
LogP ≤ 5	7.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[2-methyl-3-(3-oxopropyl)phenyl]-2-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide?

The IUPAC name of 2-cyclopentyl-N-[2-methyl-3-(3-oxopropyl)phenyl]-2-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide (CID 145102004) is 2-cyclopentyl-N-[2-methyl-3-(3-oxopropyl)phenyl]-2-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide.

What is the SMILES notation for 2-cyclopentyl-N-[2-methyl-3-(3-oxopropyl)phenyl]-2-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide?

The canonical SMILES for 2-cyclopentyl-N-[2-methyl-3-(3-oxopropyl)phenyl]-2-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide is Cc1ncc(-c2ccc(C(C(=O)Nc3cccc(CCC=O)c3C)C3CCCC3)cc2)cc1C(F)(F)F.

What is the InChIKey of 2-cyclopentyl-N-[2-methyl-3-(3-oxopropyl)phenyl]-2-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide?

The InChIKey is QEVXGKOOZASMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F3N2O2/c1-19-21(10-6-16-36)9-5-11-27(19)35-29(37)28(23-7-3-4-8-23)24-14-12-22(13-15-24)25-17-26(30(31,32)33)20(2)34-18-25/h5,9,11-18,23,28H,3-4,6-8,10H2,1-2H3,(H,35,37).

What are the key properties of 2-cyclopentyl-N-[2-methyl-3-(3-oxopropyl)phenyl]-2-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide?

2-cyclopentyl-N-[2-methyl-3-(3-oxopropyl)phenyl]-2-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide has a molecular weight of 508.58 g/mol, XLogP of 7.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopentyl-N-[2-methyl-3-(3-oxopropyl)phenyl]-2-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 145102004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).