2-[(2-chlorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide

C28H31ClN2O3 — CID 133192335

About 2-[(2-chlorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide

2-[(2-chlorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide (PubChem CID 133192335) has the molecular formula C28H31ClN2O3 and a molecular weight of 479.02 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide.

Molecular Properties

• Compound Name: 2-[(2-chlorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
• PubChem CID: 133192335
• Molecular Formula: C28H31ClN2O3
• Molecular Weight: 479.02 g/mol
• Exact Mass: 478.20
• IUPAC Name: 2-[(2-chlorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
• SMILES: Cc1ccccc1OCC(=O)N(Cc1ccccc1Cl)C(Cc1ccccc1)C(=O)NC(C)C
• InChI: InChI=1S/C28H31ClN2O3/c1-20(2)30-28(33)25(17-22-12-5-4-6-13-22)31(18-23-14-8-9-15-24(23)29)27(32)19-34-26-16-10-7-11-21(26)3/h4-16,20,25H,17-19H2,1-3H3,(H,30,33)
• InChIKey: VWYJFBJFSDRLDS-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.02
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide?

The IUPAC name of 2-[(2-chlorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide (CID 133192335) is 2-[(2-chlorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide.

What is the SMILES notation for 2-[(2-chlorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide?

The canonical SMILES for 2-[(2-chlorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide is Cc1ccccc1OCC(=O)N(Cc1ccccc1Cl)C(Cc1ccccc1)C(=O)NC(C)C.

What is the InChIKey of 2-[(2-chlorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide?

The InChIKey is VWYJFBJFSDRLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN2O3/c1-20(2)30-28(33)25(17-22-12-5-4-6-13-22)31(18-23-14-8-9-15-24(23)29)27(32)19-34-26-16-10-7-11-21(26)3/h4-16,20,25H,17-19H2,1-3H3,(H,30,33).

What are the key properties of 2-[(2-chlorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide?

2-[(2-chlorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide has a molecular weight of 479.02 g/mol, XLogP of 5.19, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-chlorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 133192335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).