3-methyl-2-(1-phenylpropan-2-ylamino)butanamide

C14H22N2O — CID 106344213

IUPAC3-methyl-2-(1-phenylpropan-2-ylamino)butanamide
SMILESCC(Cc1ccccc1)NC(C(N)=O)C(C)C
InChIInChI=1S/C14H22N2O/c1-10(2)13(14(15)17)16-11(3)9-12-7-5-4-6-8-12/h4-8,10-11,13,16H,9H2,1-3H3,(H2,15,17)
InChIKeyQRPHWAKXYRTEDY-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.72
Rot. Bonds6

About 3-methyl-2-(1-phenylpropan-2-ylamino)butanamide

3-methyl-2-(1-phenylpropan-2-ylamino)butanamide (PubChem CID 106344213) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-methyl-2-(1-phenylpropan-2-ylamino)butanamide.

Molecular Properties

Compound Name3-methyl-2-(1-phenylpropan-2-ylamino)butanamide
PubChem CID106344213
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-methyl-2-(1-phenylpropan-2-ylamino)butanamide
SMILESCC(Cc1ccccc1)NC(C(N)=O)C(C)C
InChIInChI=1S/C14H22N2O/c1-10(2)13(14(15)17)16-11(3)9-12-7-5-4-6-8-12/h4-8,10-11,13,16H,9H2,1-3H3,(H2,15,17)
InChIKeyQRPHWAKXYRTEDY-UHFFFAOYSA-N
XLogP1.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-2-(1-phenylpropan-2-ylamino)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-[1-(2-methoxyphenyl)propan-2-ylamino]-3-methylbutanamide
CID 106344173
(2R)-2-(benzhydrylamino)-3-methylbutanamide
CID 54455149
2-methyl-3-(1-phenylpropan-2-ylamino)butanoic acid
CID 79398614
(2S)-2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-3-methylbutanamide
CID 66657959
N-methyl-2-(1-phenylpropan-2-ylamino)propanamide
CID 63010546
3-methyl-2-[(3-methyl-1-phenylbutyl)amino]butanamide
CID 103729643
3-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]butanoic acid
CID 106344813
methyl (2R)-2-benzyl-3-methylbutanoate
CID 59852467
(2R)-2-amino-3-methyl-N-(1-phenylpropan-2-yl)butanamide
CID 79012840
methyl 2-[1-(4-fluorophenyl)propan-2-ylamino]-3-methylbutanoate
CID 114828492
(2S)-2,5-diamino-5-(1-phenylpropan-2-ylamino)pentanoic acid
CID 87300907
methyl (2S)-2-[1-(4-methoxyphenyl)propan-2-ylamino]-3-methylbutanoate
CID 43508849

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(1-phenylpropan-2-ylamino)butanamide?
The IUPAC name of 3-methyl-2-(1-phenylpropan-2-ylamino)butanamide (CID 106344213) is 3-methyl-2-(1-phenylpropan-2-ylamino)butanamide.
What is the SMILES notation for 3-methyl-2-(1-phenylpropan-2-ylamino)butanamide?
The canonical SMILES for 3-methyl-2-(1-phenylpropan-2-ylamino)butanamide is CC(Cc1ccccc1)NC(C(N)=O)C(C)C.
What is the InChIKey of 3-methyl-2-(1-phenylpropan-2-ylamino)butanamide?
The InChIKey is QRPHWAKXYRTEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(2)13(14(15)17)16-11(3)9-12-7-5-4-6-8-12/h4-8,10-11,13,16H,9H2,1-3H3,(H2,15,17).
What are the key properties of 3-methyl-2-(1-phenylpropan-2-ylamino)butanamide?
3-methyl-2-(1-phenylpropan-2-ylamino)butanamide has a molecular weight of 234.34 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(1-phenylpropan-2-ylamino)butanamide is sourced from PubChem (CID 106344213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).