2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide

C30H34Cl2N2O2 — CID 133154001

About 2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide

2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide (PubChem CID 133154001) has the molecular formula C30H34Cl2N2O2 and a molecular weight of 525.52 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide.

Molecular Properties

• Compound Name: 2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide
• PubChem CID: 133154001
• Molecular Formula: C30H34Cl2N2O2
• Molecular Weight: 525.52 g/mol
• Exact Mass: 524.20
• IUPAC Name: 2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide
• SMILES: CCc1ccc(CCC(=O)N(Cc2c(Cl)cccc2Cl)C(Cc2ccccc2)C(=O)NC(C)C)cc1
• InChI: InChI=1S/C30H34Cl2N2O2/c1-4-22-13-15-23(16-14-22)17-18-29(35)34(20-25-26(31)11-8-12-27(25)32)28(30(36)33-21(2)3)19-24-9-6-5-7-10-24/h5-16,21,28H,4,17-20H2,1-3H3,(H,33,36)
• InChIKey: KKYWRXAQNRGJLR-UHFFFAOYSA-N
• XLogP: 6.65
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.52
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide?

The IUPAC name of 2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide (CID 133154001) is 2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide.

What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide?

The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide is CCc1ccc(CCC(=O)N(Cc2c(Cl)cccc2Cl)C(Cc2ccccc2)C(=O)NC(C)C)cc1.

What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide?

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

What are the key properties of 2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide?

2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide has a molecular weight of 525.52 g/mol, XLogP of 6.65, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 133154001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).