N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]butanamide

C26H34Cl2N2O2 — CID 132724253

About N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]butanamide

N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]butanamide (PubChem CID 132724253) has the molecular formula C26H34Cl2N2O2 and a molecular weight of 477.48 g/mol. Its IUPAC name is N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]butanamide.

Molecular Properties

• Compound Name: N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]butanamide
• PubChem CID: 132724253
• Molecular Formula: C26H34Cl2N2O2
• Molecular Weight: 477.48 g/mol
• Exact Mass: 476.20
• IUPAC Name: N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]butanamide
• SMILES: CCc1ccc(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)C(CC)C(=O)NC(C)(C)C)cc1
• InChI: InChI=1S/C26H34Cl2N2O2/c1-6-18-8-10-19(11-9-18)13-15-24(31)30(17-20-12-14-21(27)22(28)16-20)23(7-2)25(32)29-26(3,4)5/h8-12,14,16,23H,6-7,13,15,17H2,1-5H3,(H,29,32)
• InChIKey: JKFRJUKZTAPRDF-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.48
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]butanamide (CID 132724253) is N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]butanamide.

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

The canonical SMILES for N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]butanamide is CCc1ccc(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)C(CC)C(=O)NC(C)(C)C)cc1.

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

The InChIKey is JKFRJUKZTAPRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34Cl2N2O2/c1-6-18-8-10-19(11-9-18)13-15-24(31)30(17-20-12-14-21(27)22(28)16-20)23(7-2)25(32)29-26(3,4)5/h8-12,14,16,23H,6-7,13,15,17H2,1-5H3,(H,29,32).

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

N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]butanamide has a molecular weight of 477.48 g/mol, XLogP of 6.21, 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-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]butanamide is sourced from PubChem (CID 132724253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).