2-[(4-methylphenyl)methyl-propanoylamino]-N-(2-methylpropyl)butanamide

C19H30N2O2 — CID 132699432

IUPAC2-[(4-methylphenyl)methyl-propanoylamino]-N-(2-methylpropyl)butanamide
SMILESCCC(=O)N(Cc1ccc(C)cc1)C(CC)C(=O)NCC(C)C
InChIInChI=1S/C19H30N2O2/c1-6-17(19(23)20-12-14(3)4)21(18(22)7-2)13-16-10-8-15(5)9-11-16/h8-11,14,17H,6-7,12-13H2,1-5H3,(H,20,23)
InChIKeyYAXJGZNDGFYXMA-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.28
Rot. Bonds8

About 2-[(4-methylphenyl)methyl-propanoylamino]-N-(2-methylpropyl)butanamide

2-[(4-methylphenyl)methyl-propanoylamino]-N-(2-methylpropyl)butanamide (PubChem CID 132699432) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl-propanoylamino]-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl-propanoylamino]-N-(2-methylpropyl)butanamide
PubChem CID132699432
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name2-[(4-methylphenyl)methyl-propanoylamino]-N-(2-methylpropyl)butanamide
SMILESCCC(=O)N(Cc1ccc(C)cc1)C(CC)C(=O)NCC(C)C
InChIInChI=1S/C19H30N2O2/c1-6-17(19(23)20-12-14(3)4)21(18(22)7-2)13-16-10-8-15(5)9-11-16/h8-11,14,17H,6-7,12-13H2,1-5H3,(H,20,23)
InChIKeyYAXJGZNDGFYXMA-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4-methylphenyl)methyl-propanoylamino]-N-(2-methylpropyl)butanamide 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-[(4-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-(2-methylpropyl)butanamide
CID 132706620
2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)butanamide
CID 132700111
2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-(2-methylpropyl)butanamide
CID 132702861
2-[[2-(4-methylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132706947
2-[(4-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-(2-methylpropyl)butanamide
CID 132711152
2-[[2-[(4-bromophenyl)methylsulfanyl]acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132726963
2-[(4-chlorophenyl)methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)butanamide
CID 132716049
2-[butanoyl-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132650769
(2S)-2-[[2-(4-methylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100562451
2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132718101
(2R)-2-[benzyl(propanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 100741850
2-[[2-[N-(benzenesulfonyl)anilino]acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132734897

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl-propanoylamino]-N-(2-methylpropyl)butanamide?
The IUPAC name of 2-[(4-methylphenyl)methyl-propanoylamino]-N-(2-methylpropyl)butanamide (CID 132699432) is 2-[(4-methylphenyl)methyl-propanoylamino]-N-(2-methylpropyl)butanamide.
What is the SMILES notation for 2-[(4-methylphenyl)methyl-propanoylamino]-N-(2-methylpropyl)butanamide?
The canonical SMILES for 2-[(4-methylphenyl)methyl-propanoylamino]-N-(2-methylpropyl)butanamide is CCC(=O)N(Cc1ccc(C)cc1)C(CC)C(=O)NCC(C)C.
What is the InChIKey of 2-[(4-methylphenyl)methyl-propanoylamino]-N-(2-methylpropyl)butanamide?
The InChIKey is YAXJGZNDGFYXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-6-17(19(23)20-12-14(3)4)21(18(22)7-2)13-16-10-8-15(5)9-11-16/h8-11,14,17H,6-7,12-13H2,1-5H3,(H,20,23).
What are the key properties of 2-[(4-methylphenyl)methyl-propanoylamino]-N-(2-methylpropyl)butanamide?
2-[(4-methylphenyl)methyl-propanoylamino]-N-(2-methylpropyl)butanamide has a molecular weight of 318.46 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl-propanoylamino]-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 132699432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).