4-amino-3-methyl-N-(2-propan-2-ylphenyl)butanamide

C14H22N2O — CID 81071847

IUPAC4-amino-3-methyl-N-(2-propan-2-ylphenyl)butanamide
SMILESCC(CN)CC(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C14H22N2O/c1-10(2)12-6-4-5-7-13(12)16-14(17)8-11(3)9-15/h4-7,10-11H,8-9,15H2,1-3H3,(H,16,17)
InChIKeyVGLOCURRRLMBKB-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.73
Rot. Bonds5

About 4-amino-3-methyl-N-(2-propan-2-ylphenyl)butanamide

4-amino-3-methyl-N-(2-propan-2-ylphenyl)butanamide (PubChem CID 81071847) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(2-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(2-propan-2-ylphenyl)butanamide
PubChem CID81071847
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-amino-3-methyl-N-(2-propan-2-ylphenyl)butanamide
SMILESCC(CN)CC(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C14H22N2O/c1-10(2)12-6-4-5-7-13(12)16-14(17)8-11(3)9-15/h4-7,10-11H,8-9,15H2,1-3H3,(H,16,17)
InChIKeyVGLOCURRRLMBKB-UHFFFAOYSA-N
XLogP2.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-amino-3-methyl-N-(2-propan-2-ylphenyl)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

1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide
CID 67992289
3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
CID 71828995
N-(2-propan-2-ylphenyl)propanamide
CID 723442
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
2-[(4-amino-3-methylbutanoyl)amino]-N,N-dimethylbenzamide
CID 81075404
2-nitroso-N-(2-propan-2-ylphenyl)acetamide
CID 91475814
4-amino-N-(2-propan-2-ylphenyl)pentanamide;hydrochloride
CID 120558713
2-(2-aminoethoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 79463489
4-amino-3-methyl-N-(1-methylindol-3-yl)butanamide
CID 115156223
3-[(4-amino-3-methylbutanoyl)amino]-2-methylbenzamide
CID 81075423
2-methyl-5-oxo-5-(2-propan-2-ylanilino)pentanoic acid
CID 112517159
4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide
CID 54924530

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(2-propan-2-ylphenyl)butanamide?
The IUPAC name of 4-amino-3-methyl-N-(2-propan-2-ylphenyl)butanamide (CID 81071847) is 4-amino-3-methyl-N-(2-propan-2-ylphenyl)butanamide.
What is the SMILES notation for 4-amino-3-methyl-N-(2-propan-2-ylphenyl)butanamide?
The canonical SMILES for 4-amino-3-methyl-N-(2-propan-2-ylphenyl)butanamide is CC(CN)CC(=O)Nc1ccccc1C(C)C.
What is the InChIKey of 4-amino-3-methyl-N-(2-propan-2-ylphenyl)butanamide?
The InChIKey is VGLOCURRRLMBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(2)12-6-4-5-7-13(12)16-14(17)8-11(3)9-15/h4-7,10-11H,8-9,15H2,1-3H3,(H,16,17).
What are the key properties of 4-amino-3-methyl-N-(2-propan-2-ylphenyl)butanamide?
4-amino-3-methyl-N-(2-propan-2-ylphenyl)butanamide has a molecular weight of 234.34 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(2-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 81071847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).