N-[(2,6-dichlorophenyl)methyl]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-3,3-diphenylpropanamide

C28H30Cl2N2O2 — CID 100514927

About N-[(2,6-dichlorophenyl)methyl]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-3,3-diphenylpropanamide

N-[(2,6-dichlorophenyl)methyl]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-3,3-diphenylpropanamide (PubChem CID 100514927) has the molecular formula C28H30Cl2N2O2 and a molecular weight of 497.47 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-3,3-diphenylpropanamide.

Molecular Properties

• Compound Name: N-[(2,6-dichlorophenyl)methyl]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-3,3-diphenylpropanamide
• PubChem CID: 100514927
• Molecular Formula: C28H30Cl2N2O2
• Molecular Weight: 497.47 g/mol
• Exact Mass: 496.17
• IUPAC Name: N-[(2,6-dichlorophenyl)methyl]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-3,3-diphenylpropanamide
• SMILES: CCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C28H30Cl2N2O2/c1-3-17-31-28(34)20(2)32(19-24-25(29)15-10-16-26(24)30)27(33)18-23(21-11-6-4-7-12-21)22-13-8-5-9-14-22/h4-16,20,23H,3,17-19H2,1-2H3,(H,31,34)/t20-/m1/s1
• InChIKey: XLLGVEYLJRLJDS-HXUWFJFHSA-N
• XLogP: 6.46
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.47
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-3,3-diphenylpropanamide?

The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-3,3-diphenylpropanamide (CID 100514927) is N-[(2,6-dichlorophenyl)methyl]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-3,3-diphenylpropanamide.

What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-3,3-diphenylpropanamide?

The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-3,3-diphenylpropanamide is CCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CC(c1ccccc1)c1ccccc1.

What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-3,3-diphenylpropanamide?

The InChIKey is XLLGVEYLJRLJDS-HXUWFJFHSA-N. The full InChI is InChI=1S/C28H30Cl2N2O2/c1-3-17-31-28(34)20(2)32(19-24-25(29)15-10-16-26(24)30)27(33)18-23(21-11-6-4-7-12-21)22-13-8-5-9-14-22/h4-16,20,23H,3,17-19H2,1-2H3,(H,31,34)/t20-/m1/s1.

What are the key properties of N-[(2,6-dichlorophenyl)methyl]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-3,3-diphenylpropanamide?

N-[(2,6-dichlorophenyl)methyl]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-3,3-diphenylpropanamide has a molecular weight of 497.47 g/mol, XLogP of 6.46, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,6-dichlorophenyl)methyl]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-3,3-diphenylpropanamide is sourced from PubChem (CID 100514927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).