N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-3-phenylpropanamide

C30H34Cl2N2O2 — CID 133194078

About N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-3-phenylpropanamide

N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-3-phenylpropanamide (PubChem CID 133194078) has the molecular formula C30H34Cl2N2O2 and a molecular weight of 525.52 g/mol. Its IUPAC name is N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-3-phenylpropanamide.

Molecular Properties

• Compound Name: N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-3-phenylpropanamide
• PubChem CID: 133194078
• Molecular Formula: C30H34Cl2N2O2
• Molecular Weight: 525.52 g/mol
• Exact Mass: 524.20
• IUPAC Name: N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-3-phenylpropanamide
• SMILES: Cc1ccc(CCC(=O)N(Cc2c(Cl)cccc2Cl)C(Cc2ccccc2)C(=O)NC(C)(C)C)cc1
• InChI: InChI=1S/C30H34Cl2N2O2/c1-21-13-15-22(16-14-21)17-18-28(35)34(20-24-25(31)11-8-12-26(24)32)27(29(36)33-30(2,3)4)19-23-9-6-5-7-10-23/h5-16,27H,17-20H2,1-4H3,(H,33,36)
• InChIKey: OMLDBCPFGANQEW-UHFFFAOYSA-N
• XLogP: 6.79
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.52
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-3-phenylpropanamide?

The IUPAC name of N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-3-phenylpropanamide (CID 133194078) is N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-3-phenylpropanamide.

What is the SMILES notation for N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-3-phenylpropanamide?

The canonical SMILES for N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-3-phenylpropanamide is Cc1ccc(CCC(=O)N(Cc2c(Cl)cccc2Cl)C(Cc2ccccc2)C(=O)NC(C)(C)C)cc1.

What is the InChIKey of N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-3-phenylpropanamide?

The InChIKey is OMLDBCPFGANQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34Cl2N2O2/c1-21-13-15-22(16-14-21)17-18-28(35)34(20-24-25(31)11-8-12-26(24)32)27(29(36)33-30(2,3)4)19-23-9-6-5-7-10-23/h5-16,27H,17-20H2,1-4H3,(H,33,36).

What are the key properties of N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-3-phenylpropanamide?

N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-3-phenylpropanamide has a molecular weight of 525.52 g/mol, XLogP of 6.79, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-3-phenylpropanamide is sourced from PubChem (CID 133194078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).