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

C23H26Cl4N2O2 — CID 132726693

IUPACN-tert-butyl-2-[[2-(3,4-dichlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]butanamide
SMILESCCC(C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H26Cl4N2O2/c1-5-20(22(31)28-23(2,3)4)29(13-15-7-8-16(24)12-18(15)26)21(30)11-14-6-9-17(25)19(27)10-14/h6-10,12,20H,5,11,13H2,1-4H3,(H,28,31)
InChIKeyZVYVORMIQAHCED-UHFFFAOYSA-N
MW504.29 g/mol
LogP6.56
Rot. Bonds7

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

N-tert-butyl-2-[[2-(3,4-dichlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]butanamide (PubChem CID 132726693) has the molecular formula C23H26Cl4N2O2 and a molecular weight of 504.29 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-(3,4-dichlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]butanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-(3,4-dichlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]butanamide
PubChem CID132726693
Molecular FormulaC23H26Cl4N2O2
Molecular Weight504.29 g/mol
Exact Mass502.07
IUPAC NameN-tert-butyl-2-[[2-(3,4-dichlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]butanamide
SMILESCCC(C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H26Cl4N2O2/c1-5-20(22(31)28-23(2,3)4)29(13-15-7-8-16(24)12-18(15)26)21(30)11-14-6-9-17(25)19(27)10-14/h6-10,12,20H,5,11,13H2,1-4H3,(H,28,31)
InChIKeyZVYVORMIQAHCED-UHFFFAOYSA-N
XLogP6.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.29
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-2-[[2-(3,4-dichlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]butanamide
CID 132717812
N-tert-butyl-2-[(2,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]butanamide
CID 132720492
N-tert-butyl-2-[[2-(2,4-dichlorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]butanamide
CID 132619912
2-[[2-[(4-bromophenyl)methylsulfanyl]acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-tert-butylbutanamide
CID 132740909
N-tert-butyl-2-[(2,4-dichlorophenyl)methyl-(2-phenoxyacetyl)amino]butanamide
CID 132717335
N-tert-butyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]butanamide
CID 132728651
N-tert-butyl-2-[[2-(4-chlorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]butanamide
CID 132615423
2-[[2-(4-bromophenoxy)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-tert-butylbutanamide
CID 132733654
N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide
CID 132708157
N-tert-butyl-2-[[2-(4-tert-butyl-N-methylsulfonylanilino)acetyl]-[(2,4-dichlorophenyl)methyl]amino]butanamide
CID 132747018
2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylbutanamide
CID 132670432
N-tert-butyl-2-[(2,4-dichlorophenyl)methyl-[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]amino]butanamide
CID 132743758

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-(3,4-dichlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]butanamide?
The IUPAC name of N-tert-butyl-2-[[2-(3,4-dichlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]butanamide (CID 132726693) is N-tert-butyl-2-[[2-(3,4-dichlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]butanamide.
What is the SMILES notation for N-tert-butyl-2-[[2-(3,4-dichlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]butanamide?
The canonical SMILES for N-tert-butyl-2-[[2-(3,4-dichlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]butanamide is CCC(C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-tert-butyl-2-[[2-(3,4-dichlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]butanamide?
The InChIKey is ZVYVORMIQAHCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl4N2O2/c1-5-20(22(31)28-23(2,3)4)29(13-15-7-8-16(24)12-18(15)26)21(30)11-14-6-9-17(25)19(27)10-14/h6-10,12,20H,5,11,13H2,1-4H3,(H,28,31).
What are the key properties of N-tert-butyl-2-[[2-(3,4-dichlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]butanamide?
N-tert-butyl-2-[[2-(3,4-dichlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]butanamide has a molecular weight of 504.29 g/mol, XLogP of 6.56, 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-(3,4-dichlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]butanamide is sourced from PubChem (CID 132726693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).