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N-tert-butyl-2-[(2,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]butanamide

C25H32Cl2N2O2 — CID 132720492

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-tert-butyl-2-[(2,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]butanamide
SMILESCCC(C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C25H32Cl2N2O2/c1-7-22(24(31)28-25(4,5)6)29(15-18-10-11-20(26)14-21(18)27)23(30)13-19-12-16(2)8-9-17(19)3/h8-12,14,22H,7,13,15H2,1-6H3,(H,28,31)
InChIKeyOXEDYXOLEYZUPQ-UHFFFAOYSA-N
MW463.45 g/mol
LogP5.87
Rot. Bonds7

About N-tert-butyl-2-[(2,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]butanamide

N-tert-butyl-2-[(2,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]butanamide (PubChem CID 132720492) has the molecular formula C25H32Cl2N2O2 and a molecular weight of 463.45 g/mol. Its IUPAC name is N-tert-butyl-2-[(2,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]butanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]butanamide
PubChem CID132720492
Molecular FormulaC25H32Cl2N2O2
Molecular Weight463.45 g/mol
Exact Mass462.18
IUPAC NameN-tert-butyl-2-[(2,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]butanamide
SMILESCCC(C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C25H32Cl2N2O2/c1-7-22(24(31)28-25(4,5)6)29(15-18-10-11-20(26)14-21(18)27)23(30)13-19-12-16(2)8-9-17(19)3/h8-12,14,22H,7,13,15H2,1-6H3,(H,28,31)
InChIKeyOXEDYXOLEYZUPQ-UHFFFAOYSA-N
XLogP5.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.45
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]butanamide?
The IUPAC name of N-tert-butyl-2-[(2,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]butanamide (CID 132720492) is N-tert-butyl-2-[(2,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]butanamide.
What is the SMILES notation for N-tert-butyl-2-[(2,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]butanamide?
The canonical SMILES for N-tert-butyl-2-[(2,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]butanamide is CCC(C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)ccc1C.
What is the InChIKey of N-tert-butyl-2-[(2,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]butanamide?
The InChIKey is OXEDYXOLEYZUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32Cl2N2O2/c1-7-22(24(31)28-25(4,5)6)29(15-18-10-11-20(26)14-21(18)27)23(30)13-19-12-16(2)8-9-17(19)3/h8-12,14,22H,7,13,15H2,1-6H3,(H,28,31).
What are the key properties of N-tert-butyl-2-[(2,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]butanamide?
N-tert-butyl-2-[(2,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]butanamide has a molecular weight of 463.45 g/mol, XLogP of 5.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]butanamide is sourced from PubChem (CID 132720492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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