N-(2-methoxyethyl)-3,5,5-trimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]hexanamide

C29H39N3O3 — CID 42718407

About N-(2-methoxyethyl)-3,5,5-trimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]hexanamide

N-(2-methoxyethyl)-3,5,5-trimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]hexanamide (PubChem CID 42718407) has the molecular formula C29H39N3O3 and a molecular weight of 477.65 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3,5,5-trimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]hexanamide.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-3,5,5-trimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]hexanamide
• PubChem CID: 42718407
• Molecular Formula: C29H39N3O3
• Molecular Weight: 477.65 g/mol
• Exact Mass: 477.30
• IUPAC Name: N-(2-methoxyethyl)-3,5,5-trimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]hexanamide
• SMILES: COCCN(C(=O)CC(C)CC(C)(C)C)C(C)c1nc2ccccc2c(=O)n1-c1cccc(C)c1
• InChI: InChI=1S/C29H39N3O3/c1-20-11-10-12-23(17-20)32-27(30-25-14-9-8-13-24(25)28(32)34)22(3)31(15-16-35-7)26(33)18-21(2)19-29(4,5)6/h8-14,17,21-22H,15-16,18-19H2,1-7H3
• InChIKey: KYHKKZYICLGVHS-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 64.43 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.65
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3,5,5-trimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]hexanamide?

The IUPAC name of N-(2-methoxyethyl)-3,5,5-trimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]hexanamide (CID 42718407) is N-(2-methoxyethyl)-3,5,5-trimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]hexanamide.

What is the SMILES notation for N-(2-methoxyethyl)-3,5,5-trimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]hexanamide?

The canonical SMILES for N-(2-methoxyethyl)-3,5,5-trimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]hexanamide is COCCN(C(=O)CC(C)CC(C)(C)C)C(C)c1nc2ccccc2c(=O)n1-c1cccc(C)c1.

What is the InChIKey of N-(2-methoxyethyl)-3,5,5-trimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]hexanamide?

The InChIKey is KYHKKZYICLGVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O3/c1-20-11-10-12-23(17-20)32-27(30-25-14-9-8-13-24(25)28(32)34)22(3)31(15-16-35-7)26(33)18-21(2)19-29(4,5)6/h8-14,17,21-22H,15-16,18-19H2,1-7H3.

What are the key properties of N-(2-methoxyethyl)-3,5,5-trimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]hexanamide?

N-(2-methoxyethyl)-3,5,5-trimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]hexanamide has a molecular weight of 477.65 g/mol, XLogP of 5.69, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-3,5,5-trimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]hexanamide is sourced from PubChem (CID 42718407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).