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

C19H30N2O2 — CID 132650769

IUPAC2-[butanoyl-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
SMILESCCCNC(=O)C(CC)N(Cc1ccc(C)cc1)C(=O)CCC
InChIInChI=1S/C19H30N2O2/c1-5-8-18(22)21(14-16-11-9-15(4)10-12-16)17(7-3)19(23)20-13-6-2/h9-12,17H,5-8,13-14H2,1-4H3,(H,20,23)
InChIKeyCXKRBLVXRBDTCH-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.43
Rot. Bonds9

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

2-[butanoyl-[(4-methylphenyl)methyl]amino]-N-propylbutanamide (PubChem CID 132650769) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-[butanoyl-[(4-methylphenyl)methyl]amino]-N-propylbutanamide.

Molecular Properties

Compound Name2-[butanoyl-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
PubChem CID132650769
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name2-[butanoyl-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
SMILESCCCNC(=O)C(CC)N(Cc1ccc(C)cc1)C(=O)CCC
InChIInChI=1S/C19H30N2O2/c1-5-8-18(22)21(14-16-11-9-15(4)10-12-16)17(7-3)19(23)20-13-6-2/h9-12,17H,5-8,13-14H2,1-4H3,(H,20,23)
InChIKeyCXKRBLVXRBDTCH-UHFFFAOYSA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[butanoyl-[(4-methylphenyl)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

(2S)-2-[[2-(4-methylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100562451
2-[butanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132650775
(2S)-2-[butanoyl-[(4-chlorophenyl)methyl]amino]-N-propylbutanamide
CID 100576957
(2R)-2-[(4-methylphenyl)methyl-[3-(4-methylphenyl)sulfanylpropanoyl]amino]-N-propylbutanamide
CID 100557358
(2S)-2-[(4-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propylbutanamide
CID 100574907
2-[(4-methylphenyl)methyl-[3-(4-methylphenyl)sulfanylpropanoyl]amino]-N-propylbutanamide
CID 132668052
(2R)-2-[4-(4-methylphenoxy)butanoyl-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100561486
(2S)-2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-propylbutanamide
CID 100541940
2-[(4-methylphenyl)methyl-(3-phenylsulfanylpropanoyl)amino]-N-propylbutanamide
CID 132664266
2-[[2-(4-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132657951
(2S)-2-[(4-methylphenyl)methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-propylbutanamide
CID 100557098
(2S)-2-[(4-chlorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylbutanamide
CID 100576018

Frequently Asked Questions

What is the IUPAC name of 2-[butanoyl-[(4-methylphenyl)methyl]amino]-N-propylbutanamide?
The IUPAC name of 2-[butanoyl-[(4-methylphenyl)methyl]amino]-N-propylbutanamide (CID 132650769) is 2-[butanoyl-[(4-methylphenyl)methyl]amino]-N-propylbutanamide.
What is the SMILES notation for 2-[butanoyl-[(4-methylphenyl)methyl]amino]-N-propylbutanamide?
The canonical SMILES for 2-[butanoyl-[(4-methylphenyl)methyl]amino]-N-propylbutanamide is CCCNC(=O)C(CC)N(Cc1ccc(C)cc1)C(=O)CCC.
What is the InChIKey of 2-[butanoyl-[(4-methylphenyl)methyl]amino]-N-propylbutanamide?
The InChIKey is CXKRBLVXRBDTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-5-8-18(22)21(14-16-11-9-15(4)10-12-16)17(7-3)19(23)20-13-6-2/h9-12,17H,5-8,13-14H2,1-4H3,(H,20,23).
What are the key properties of 2-[butanoyl-[(4-methylphenyl)methyl]amino]-N-propylbutanamide?
2-[butanoyl-[(4-methylphenyl)methyl]amino]-N-propylbutanamide has a molecular weight of 318.46 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butanoyl-[(4-methylphenyl)methyl]amino]-N-propylbutanamide is sourced from PubChem (CID 132650769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).