2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-propylbutanamide

C18H26Cl2N2O2 — CID 132656059

IUPAC2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-propylbutanamide
SMILESCCCNC(=O)C(CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCC
InChIInChI=1S/C18H26Cl2N2O2/c1-4-7-17(23)22(16(6-3)18(24)21-10-5-2)12-13-8-9-14(19)11-15(13)20/h8-9,11,16H,4-7,10,12H2,1-3H3,(H,21,24)
InChIKeyJNXBOLGMLHQBKH-UHFFFAOYSA-N
MW373.32 g/mol
LogP4.43
Rot. Bonds9

About 2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-propylbutanamide

2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-propylbutanamide (PubChem CID 132656059) has the molecular formula C18H26Cl2N2O2 and a molecular weight of 373.32 g/mol. Its IUPAC name is 2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-propylbutanamide.

Molecular Properties

Compound Name2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-propylbutanamide
PubChem CID132656059
Molecular FormulaC18H26Cl2N2O2
Molecular Weight373.32 g/mol
Exact Mass372.14
IUPAC Name2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-propylbutanamide
SMILESCCCNC(=O)C(CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCC
InChIInChI=1S/C18H26Cl2N2O2/c1-4-7-17(23)22(16(6-3)18(24)21-10-5-2)12-13-8-9-14(19)11-15(13)20/h8-9,11,16H,4-7,10,12H2,1-3H3,(H,21,24)
InChIKeyJNXBOLGMLHQBKH-UHFFFAOYSA-N
XLogP4.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.32
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-propylbutanamide 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

2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-ethylbutanamide
CID 132654097
(2S)-2-[3-(4-chlorophenyl)sulfanylpropanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-propylbutanamide
CID 100583952
N-[(2,4-dichlorophenyl)methyl]-N-[1-oxo-1-(propylamino)propan-2-yl]butanamide
CID 132654104
(2R)-2-[(2,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylbutanamide
CID 100589316
2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-butan-2-ylbutanamide
CID 132703691
2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylbutanamide
CID 132670432
(2S)-2-[(2,4-dichlorophenyl)methyl-[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-propylbutanamide
CID 100589390
(2S)-2-[[2-(4-chlorophenyl)sulfanylacetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-propylbutanamide
CID 100583758
2-[3-benzylsulfanylpropanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-propylbutanamide
CID 132677215
2-[(2,4-dichlorophenyl)methyl-[4-(4-methoxyphenoxy)butanoyl]amino]-N-propylbutanamide
CID 132679274
(2R)-2-[(2,4-dichlorophenyl)methyl-[4-(4-methoxyphenoxy)butanoyl]amino]-N-propylbutanamide
CID 100587776
(2S)-2-[butanoyl-[(4-chlorophenyl)methyl]amino]-N-propylbutanamide
CID 100576957

Frequently Asked Questions

What is the IUPAC name of 2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-propylbutanamide?
The IUPAC name of 2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-propylbutanamide (CID 132656059) is 2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-propylbutanamide.
What is the SMILES notation for 2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-propylbutanamide?
The canonical SMILES for 2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-propylbutanamide is CCCNC(=O)C(CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCC.
What is the InChIKey of 2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-propylbutanamide?
The InChIKey is JNXBOLGMLHQBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Cl2N2O2/c1-4-7-17(23)22(16(6-3)18(24)21-10-5-2)12-13-8-9-14(19)11-15(13)20/h8-9,11,16H,4-7,10,12H2,1-3H3,(H,21,24).
What are the key properties of 2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-propylbutanamide?
2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-propylbutanamide has a molecular weight of 373.32 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-propylbutanamide is sourced from PubChem (CID 132656059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).