N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentyl-2,2-diphenylacetamide

C37H39N3O3 — CID 42722539

About N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentyl-2,2-diphenylacetamide

N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentyl-2,2-diphenylacetamide (PubChem CID 42722539) has the molecular formula C37H39N3O3 and a molecular weight of 573.74 g/mol. Its IUPAC name is N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentyl-2,2-diphenylacetamide.

Molecular Properties

• Compound Name: N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentyl-2,2-diphenylacetamide
• PubChem CID: 42722539
• Molecular Formula: C37H39N3O3
• Molecular Weight: 573.74 g/mol
• Exact Mass: 573.30
• IUPAC Name: N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentyl-2,2-diphenylacetamide
• SMILES: CCCCCN(C(=O)C(c1ccccc1)c1ccccc1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1OCC
• InChI: InChI=1S/C37H39N3O3/c1-4-6-17-26-39(37(42)34(28-18-9-7-10-19-28)29-20-11-8-12-21-29)27(3)35-38-31-23-14-13-22-30(31)36(41)40(35)32-24-15-16-25-33(32)43-5-2/h7-16,18-25,27,34H,4-6,17,26H2,1-3H3
• InChIKey: PCFGHYCVGHKUEQ-UHFFFAOYSA-N
• XLogP: 7.70
• TPSA: 64.43 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.74
LogP ≤ 5	7.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentyl-2,2-diphenylacetamide?

The IUPAC name of N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentyl-2,2-diphenylacetamide (CID 42722539) is N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentyl-2,2-diphenylacetamide.

What is the SMILES notation for N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentyl-2,2-diphenylacetamide?

The canonical SMILES for N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentyl-2,2-diphenylacetamide is CCCCCN(C(=O)C(c1ccccc1)c1ccccc1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1OCC.

What is the InChIKey of N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentyl-2,2-diphenylacetamide?

The InChIKey is PCFGHYCVGHKUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39N3O3/c1-4-6-17-26-39(37(42)34(28-18-9-7-10-19-28)29-20-11-8-12-21-29)27(3)35-38-31-23-14-13-22-30(31)36(41)40(35)32-24-15-16-25-33(32)43-5-2/h7-16,18-25,27,34H,4-6,17,26H2,1-3H3.

What are the key properties of N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentyl-2,2-diphenylacetamide?

N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentyl-2,2-diphenylacetamide has a molecular weight of 573.74 g/mol, XLogP of 7.70, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentyl-2,2-diphenylacetamide is sourced from PubChem (CID 42722539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).