N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide

C38H41N3O4 — CID 4004381

About N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide (PubChem CID 4004381) has the molecular formula C38H41N3O4 and a molecular weight of 603.76 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide.

Molecular Properties

• Compound Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
• PubChem CID: 4004381
• Molecular Formula: C38H41N3O4
• Molecular Weight: 603.76 g/mol
• Exact Mass: 603.31
• IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
• SMILES: CCc1ccc(C(=O)N(CCc2ccc(OC)c(OC)c2)C(CC)c2nc3ccccc3c(=O)n2-c2ccc(CC)cc2)cc1
• InChI: InChI=1S/C38H41N3O4/c1-6-26-13-18-29(19-14-26)37(42)40(24-23-28-17-22-34(44-4)35(25-28)45-5)33(8-3)36-39-32-12-10-9-11-31(32)38(43)41(36)30-20-15-27(7-2)16-21-30/h9-22,25,33H,6-8,23-24H2,1-5H3
• InChIKey: ZBZVPLBNDKWSJK-UHFFFAOYSA-N
• XLogP: 7.36
• TPSA: 73.66 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.76
LogP ≤ 5	7.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?

The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide (CID 4004381) is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide.

What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?

The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide is CCc1ccc(C(=O)N(CCc2ccc(OC)c(OC)c2)C(CC)c2nc3ccccc3c(=O)n2-c2ccc(CC)cc2)cc1.

What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?

The InChIKey is ZBZVPLBNDKWSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H41N3O4/c1-6-26-13-18-29(19-14-26)37(42)40(24-23-28-17-22-34(44-4)35(25-28)45-5)33(8-3)36-39-32-12-10-9-11-31(32)38(43)41(36)30-20-15-27(7-2)16-21-30/h9-22,25,33H,6-8,23-24H2,1-5H3.

What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide has a molecular weight of 603.76 g/mol, XLogP of 7.36, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide is sourced from PubChem (CID 4004381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).