N-butyl-2-[(2,6-dichlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]propanamide

C24H30Cl2N2O2 — CID 132716694

IUPACN-butyl-2-[(2,6-dichlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]propanamide
SMILESCCCCNC(=O)C(C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C24H30Cl2N2O2/c1-5-6-12-27-24(30)18(4)28(15-20-21(25)8-7-9-22(20)26)23(29)14-19-11-10-16(2)17(3)13-19/h7-11,13,18H,5-6,12,14-15H2,1-4H3,(H,27,30)
InChIKeyVGZYPJJCGHDJCQ-UHFFFAOYSA-N
MW449.42 g/mol
LogP5.49
Rot. Bonds9

About N-butyl-2-[(2,6-dichlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]propanamide

N-butyl-2-[(2,6-dichlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]propanamide (PubChem CID 132716694) has the molecular formula C24H30Cl2N2O2 and a molecular weight of 449.42 g/mol. Its IUPAC name is N-butyl-2-[(2,6-dichlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-butyl-2-[(2,6-dichlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]propanamide
PubChem CID132716694
Molecular FormulaC24H30Cl2N2O2
Molecular Weight449.42 g/mol
Exact Mass448.17
IUPAC NameN-butyl-2-[(2,6-dichlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]propanamide
SMILESCCCCNC(=O)C(C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C24H30Cl2N2O2/c1-5-6-12-27-24(30)18(4)28(15-20-21(25)8-7-9-22(20)26)23(29)14-19-11-10-16(2)17(3)13-19/h7-11,13,18H,5-6,12,14-15H2,1-4H3,(H,27,30)
InChIKeyVGZYPJJCGHDJCQ-UHFFFAOYSA-N
XLogP5.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.42
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-[[2-(3,4-dichlorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]propanamide
CID 132986665
2-[(2,6-dichlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 132716611
N-butyl-2-[[2-(3-chlorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]propanamide
CID 132718466
(2R)-2-[(2,6-dichlorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylpropanamide
CID 100515175
N-butyl-2-[(2,6-dichlorophenyl)methyl-[2-(3,4-dimethylphenoxy)acetyl]amino]propanamide
CID 132721144
(2R)-2-[[2-(2,6-dichlorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-propylpropanamide
CID 100516357
2-[(2,6-dichlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-propylpropanamide
CID 132666573
(2S)-N-[(2S)-butan-2-yl]-2-[(2,6-dichlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]butanamide
CID 100740299
(2R)-N-[(2S)-butan-2-yl]-2-[(2,6-dichlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]butanamide
CID 100740282
(2S)-2-[[2-(2-chlorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-propylpropanamide
CID 100516266
(2R)-N-butyl-2-[(3-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
CID 100557922
(2S)-2-[(2,6-dichlorophenyl)methyl-[2-(3,4-dimethylphenoxy)acetyl]amino]-N-propylpropanamide
CID 100514268

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(2,6-dichlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]propanamide?
The IUPAC name of N-butyl-2-[(2,6-dichlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]propanamide (CID 132716694) is N-butyl-2-[(2,6-dichlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]propanamide.
What is the SMILES notation for N-butyl-2-[(2,6-dichlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]propanamide?
The canonical SMILES for N-butyl-2-[(2,6-dichlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]propanamide is CCCCNC(=O)C(C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)c(C)c1.
What is the InChIKey of N-butyl-2-[(2,6-dichlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]propanamide?
The InChIKey is VGZYPJJCGHDJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N2O2/c1-5-6-12-27-24(30)18(4)28(15-20-21(25)8-7-9-22(20)26)23(29)14-19-11-10-16(2)17(3)13-19/h7-11,13,18H,5-6,12,14-15H2,1-4H3,(H,27,30).
What are the key properties of N-butyl-2-[(2,6-dichlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]propanamide?
N-butyl-2-[(2,6-dichlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]propanamide has a molecular weight of 449.42 g/mol, XLogP of 5.49, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(2,6-dichlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]propanamide is sourced from PubChem (CID 132716694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).