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

C24H30Cl2N2O2 — CID 132716739

IUPACN-tert-butyl-2-[(3,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]butanamide
SMILESCCC(C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1
InChIInChI=1S/C24H30Cl2N2O2/c1-5-21(23(30)27-24(2,3)4)28(16-18-11-13-19(25)20(26)15-18)22(29)14-12-17-9-7-6-8-10-17/h6-11,13,15,21H,5,12,14,16H2,1-4H3,(H,27,30)
InChIKeyMSZLBOZWKWGOMB-UHFFFAOYSA-N
MW449.42 g/mol
LogP5.65
Rot. Bonds8

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

N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]butanamide (PubChem CID 132716739) has the molecular formula C24H30Cl2N2O2 and a molecular weight of 449.42 g/mol. Its IUPAC name is N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]butanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]butanamide
PubChem CID132716739
Molecular FormulaC24H30Cl2N2O2
Molecular Weight449.42 g/mol
Exact Mass448.17
IUPAC NameN-tert-butyl-2-[(3,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]butanamide
SMILESCCC(C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1
InChIInChI=1S/C24H30Cl2N2O2/c1-5-21(23(30)27-24(2,3)4)28(16-18-11-13-19(25)20(26)15-18)22(29)14-12-17-9-7-6-8-10-17/h6-11,13,15,21H,5,12,14,16H2,1-4H3,(H,27,30)
InChIKeyMSZLBOZWKWGOMB-UHFFFAOYSA-N
XLogP5.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.42
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]butanamide
CID 132724253
2-[(3,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylbutanamide
CID 132663006
2-[(3,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-propylbutanamide
CID 132670478
N-butyl-2-[(3,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]butanamide
CID 132716707
2-[3-(1,3-benzodioxol-5-yl)propanoyl-[(3,4-dichlorophenyl)methyl]amino]-N-tert-butylbutanamide
CID 132945376
N-tert-butyl-2-[(2-chlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]butanamide
CID 132714894
N-tert-butyl-2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]-(2-phenylethyl)amino]butanamide
CID 132618766
(2R)-N-butyl-2-[3-(4-tert-butylphenyl)propanoyl-[(3,4-dichlorophenyl)methyl]amino]-3-phenylpropanamide
CID 100694421
2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-tert-butylbutanamide
CID 132758740
(2S)-N-[(2S)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide
CID 100731042
N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]-3-phenylpropanamide
CID 133193855
2-[3-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoyl-[(3,4-dichlorophenyl)methyl]amino]-N-tert-butylbutanamide
CID 132731792

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]butanamide?
The IUPAC name of N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]butanamide (CID 132716739) is N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]butanamide.
What is the SMILES notation for N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]butanamide?
The canonical SMILES for N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]butanamide is CCC(C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1.
What is the InChIKey of N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]butanamide?
The InChIKey is MSZLBOZWKWGOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N2O2/c1-5-21(23(30)27-24(2,3)4)28(16-18-11-13-19(25)20(26)15-18)22(29)14-12-17-9-7-6-8-10-17/h6-11,13,15,21H,5,12,14,16H2,1-4H3,(H,27,30).
What are the key properties of N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]butanamide?
N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]butanamide has a molecular weight of 449.42 g/mol, XLogP of 5.65, 8 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-phenylpropanoyl)amino]butanamide is sourced from PubChem (CID 132716739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).