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

C19H30N2O2 — CID 132650775

IUPAC2-[butanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide
SMILESCCCC(=O)N(Cc1ccc(C)cc1)C(CC)C(=O)NC(C)C
InChIInChI=1S/C19H30N2O2/c1-6-8-18(22)21(13-16-11-9-15(5)10-12-16)17(7-2)19(23)20-14(3)4/h9-12,14,17H,6-8,13H2,1-5H3,(H,20,23)
InChIKeyKNPHYEBVLRHYCJ-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.43
Rot. Bonds8

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

2-[butanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide (PubChem CID 132650775) 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-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-[butanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide
PubChem CID132650775
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name2-[butanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide
SMILESCCCC(=O)N(Cc1ccc(C)cc1)C(CC)C(=O)NC(C)C
InChIInChI=1S/C19H30N2O2/c1-6-8-18(22)21(13-16-11-9-15(5)10-12-16)17(7-2)19(23)20-14(3)4/h9-12,14,17H,6-8,13H2,1-5H3,(H,20,23)
InChIKeyKNPHYEBVLRHYCJ-UHFFFAOYSA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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-propan-2-ylbutanamide 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-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132650769
2-[3-(2-chlorophenyl)propanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132664735
(2R)-N-[(2S)-butan-2-yl]-2-[(4-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide
CID 100683172
N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]-N-[(4-methylphenyl)methyl]butanamide
CID 100549543
N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-N-[(4-methylphenyl)methyl]butanamide
CID 132699458
2-[3-(3,4-diethoxyphenyl)propanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132677138
2-[4-(1,3-dioxoisoindol-2-yl)butanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132676501
2-[[2-(2-methylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132660540
2-[(4-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-(2-methylpropyl)butanamide
CID 132706620
2-[4-(3,5-dimethyl-N-methylsulfonylanilino)butanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132682366
2-[(4-methylphenyl)methyl-[4-(N-methylsulfonylanilino)butanoyl]amino]-N-propan-2-ylbutanamide
CID 132678050
2-[butanoyl-[(4-methoxyphenyl)methyl]amino]-N-butan-2-ylbutanamide
CID 132700582

Frequently Asked Questions

What is the IUPAC name of 2-[butanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide?
The IUPAC name of 2-[butanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide (CID 132650775) is 2-[butanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-[butanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide?
The canonical SMILES for 2-[butanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide is CCCC(=O)N(Cc1ccc(C)cc1)C(CC)C(=O)NC(C)C.
What is the InChIKey of 2-[butanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide?
The InChIKey is KNPHYEBVLRHYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-6-8-18(22)21(13-16-11-9-15(5)10-12-16)17(7-2)19(23)20-14(3)4/h9-12,14,17H,6-8,13H2,1-5H3,(H,20,23).
What are the key properties of 2-[butanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide?
2-[butanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide has a molecular weight of 318.46 g/mol, XLogP of 3.43, 8 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-propan-2-ylbutanamide is sourced from PubChem (CID 132650775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).