N-butan-2-yl-2-[(2,6-dichlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]butanamide

C25H32Cl2N2O3 — CID 132724814

About N-butan-2-yl-2-[(2,6-dichlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]butanamide

N-butan-2-yl-2-[(2,6-dichlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]butanamide (PubChem CID 132724814) has the molecular formula C25H32Cl2N2O3 and a molecular weight of 479.45 g/mol. Its IUPAC name is N-butan-2-yl-2-[(2,6-dichlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]butanamide.

Molecular Properties

• Compound Name: N-butan-2-yl-2-[(2,6-dichlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]butanamide
• PubChem CID: 132724814
• Molecular Formula: C25H32Cl2N2O3
• Molecular Weight: 479.45 g/mol
• Exact Mass: 478.18
• IUPAC Name: N-butan-2-yl-2-[(2,6-dichlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]butanamide
• SMILES: CCC(C)NC(=O)C(CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cc(C)ccc1C
• InChI: InChI=1S/C25H32Cl2N2O3/c1-6-18(5)28-25(31)22(7-2)29(14-19-20(26)9-8-10-21(19)27)24(30)15-32-23-13-16(3)11-12-17(23)4/h8-13,18,22H,6-7,14-15H2,1-5H3,(H,28,31)
• InChIKey: BDAXHZQNMSPDDT-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.45
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(2,6-dichlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]butanamide?

The IUPAC name of N-butan-2-yl-2-[(2,6-dichlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]butanamide (CID 132724814) is N-butan-2-yl-2-[(2,6-dichlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]butanamide.

What is the SMILES notation for N-butan-2-yl-2-[(2,6-dichlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]butanamide?

The canonical SMILES for N-butan-2-yl-2-[(2,6-dichlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]butanamide is CCC(C)NC(=O)C(CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cc(C)ccc1C.

What is the InChIKey of N-butan-2-yl-2-[(2,6-dichlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]butanamide?

The InChIKey is BDAXHZQNMSPDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32Cl2N2O3/c1-6-18(5)28-25(31)22(7-2)29(14-19-20(26)9-8-10-21(19)27)24(30)15-32-23-13-16(3)11-12-17(23)4/h8-13,18,22H,6-7,14-15H2,1-5H3,(H,28,31).

What are the key properties of N-butan-2-yl-2-[(2,6-dichlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]butanamide?

N-butan-2-yl-2-[(2,6-dichlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]butanamide has a molecular weight of 479.45 g/mol, XLogP of 5.71, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-butan-2-yl-2-[(2,6-dichlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]butanamide is sourced from PubChem (CID 132724814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).