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

C23H28Cl2N2O3 — CID 132717335

IUPACN-tert-butyl-2-[(2,4-dichlorophenyl)methyl-(2-phenoxyacetyl)amino]butanamide
SMILESCCC(C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1
InChIInChI=1S/C23H28Cl2N2O3/c1-5-20(22(29)26-23(2,3)4)27(14-16-11-12-17(24)13-19(16)25)21(28)15-30-18-9-7-6-8-10-18/h6-13,20H,5,14-15H2,1-4H3,(H,26,29)
InChIKeySUUXDFXJECRXBM-UHFFFAOYSA-N
MW451.39 g/mol
LogP5.09
Rot. Bonds8

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

N-tert-butyl-2-[(2,4-dichlorophenyl)methyl-(2-phenoxyacetyl)amino]butanamide (PubChem CID 132717335) has the molecular formula C23H28Cl2N2O3 and a molecular weight of 451.39 g/mol. Its IUPAC name is N-tert-butyl-2-[(2,4-dichlorophenyl)methyl-(2-phenoxyacetyl)amino]butanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2,4-dichlorophenyl)methyl-(2-phenoxyacetyl)amino]butanamide
PubChem CID132717335
Molecular FormulaC23H28Cl2N2O3
Molecular Weight451.39 g/mol
Exact Mass450.15
IUPAC NameN-tert-butyl-2-[(2,4-dichlorophenyl)methyl-(2-phenoxyacetyl)amino]butanamide
SMILESCCC(C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1
InChIInChI=1S/C23H28Cl2N2O3/c1-5-20(22(29)26-23(2,3)4)27(14-16-11-12-17(24)13-19(16)25)21(28)15-30-18-9-7-6-8-10-18/h6-13,20H,5,14-15H2,1-4H3,(H,26,29)
InChIKeySUUXDFXJECRXBM-UHFFFAOYSA-N
XLogP5.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.39
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[(2-chlorophenyl)methyl-(2-phenoxyacetyl)amino]butanamide
CID 132708573
2-[[2-(4-bromophenoxy)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-tert-butylbutanamide
CID 132733654
N-tert-butyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]butanamide
CID 132728651
(2S)-N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-(2-phenoxyacetyl)amino]butanamide
CID 100569380
N-tert-butyl-2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]butanamide
CID 132704901
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-tert-butylbutanamide
CID 132741887
N-tert-butyl-2-[(2,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]butanamide
CID 132724884
(2R)-2-[[2-[N-(benzenesulfonyl)-4-ethoxyanilino]acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-tert-butylbutanamide
CID 125055815
2-[[2-(3-chlorophenoxy)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132986192
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-tert-butyl-3-phenylpropanamide
CID 133193432
N-butyl-2-[[2-(3-chlorophenoxy)acetyl]-[(2,4-dichlorophenyl)methyl]amino]butanamide
CID 132986839
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(3-chlorophenoxy)acetyl]-[(2,4-dichlorophenyl)methyl]amino]butanamide
CID 100725144

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2,4-dichlorophenyl)methyl-(2-phenoxyacetyl)amino]butanamide?
The IUPAC name of N-tert-butyl-2-[(2,4-dichlorophenyl)methyl-(2-phenoxyacetyl)amino]butanamide (CID 132717335) is N-tert-butyl-2-[(2,4-dichlorophenyl)methyl-(2-phenoxyacetyl)amino]butanamide.
What is the SMILES notation for N-tert-butyl-2-[(2,4-dichlorophenyl)methyl-(2-phenoxyacetyl)amino]butanamide?
The canonical SMILES for N-tert-butyl-2-[(2,4-dichlorophenyl)methyl-(2-phenoxyacetyl)amino]butanamide is CCC(C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1.
What is the InChIKey of N-tert-butyl-2-[(2,4-dichlorophenyl)methyl-(2-phenoxyacetyl)amino]butanamide?
The InChIKey is SUUXDFXJECRXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N2O3/c1-5-20(22(29)26-23(2,3)4)27(14-16-11-12-17(24)13-19(16)25)21(28)15-30-18-9-7-6-8-10-18/h6-13,20H,5,14-15H2,1-4H3,(H,26,29).
What are the key properties of N-tert-butyl-2-[(2,4-dichlorophenyl)methyl-(2-phenoxyacetyl)amino]butanamide?
N-tert-butyl-2-[(2,4-dichlorophenyl)methyl-(2-phenoxyacetyl)amino]butanamide has a molecular weight of 451.39 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2,4-dichlorophenyl)methyl-(2-phenoxyacetyl)amino]butanamide is sourced from PubChem (CID 132717335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).