4-amino-N-(2-methylpropyl)-2-phenylbutanamide

C14H22N2O — CID 112515492

IUPAC4-amino-N-(2-methylpropyl)-2-phenylbutanamide
SMILESCC(C)CNC(=O)C(CCN)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-11(2)10-16-14(17)13(8-9-15)12-6-4-3-5-7-12/h3-7,11,13H,8-10,15H2,1-2H3,(H,16,17)
InChIKeyWPWWYXYLYYXGFT-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.89
Rot. Bonds6

About 4-amino-N-(2-methylpropyl)-2-phenylbutanamide

4-amino-N-(2-methylpropyl)-2-phenylbutanamide (PubChem CID 112515492) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-amino-N-(2-methylpropyl)-2-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-(2-methylpropyl)-2-phenylbutanamide
PubChem CID112515492
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-amino-N-(2-methylpropyl)-2-phenylbutanamide
SMILESCC(C)CNC(=O)C(CCN)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-11(2)10-16-14(17)13(8-9-15)12-6-4-3-5-7-12/h3-7,11,13H,8-10,15H2,1-2H3,(H,16,17)
InChIKeyWPWWYXYLYYXGFT-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2-(4-fluorophenyl)-N-(2-methylpropyl)butanamide
CID 112516304
3-amino-N-(2-hydroxy-3-methylbutyl)-2-phenylpropanamide
CID 113492233
methyl 4-amino-2-phenylbutanoate;hydrochloride
CID 66905089
2-[[(3-amino-2-phenylpropanoyl)amino]methyl]butanoic acid
CID 65224288
2-[[(3-amino-2-phenylpropanoyl)amino]methyl]-3-methylbutanoic acid
CID 65224383
4-methyl-2-[(2-phenylpentanoylamino)methyl]pentanoic acid
CID 119253008
N-(2-methylpropyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 63705951
sodium;4-amino-2-phenylbutanoic acid;hydride
CID 174638608
3-amino-N-(2-cyclopropylpropyl)-2-phenylpropanamide
CID 115738526
ethyl 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-phenylpropanoate
CID 119805478
3-amino-N-(2-ethylhexyl)-2-phenylpropanamide
CID 62878370
N-(1-amino-4-methylpentan-3-yl)-2-phenylbutanamide
CID 106356833

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methylpropyl)-2-phenylbutanamide?
The IUPAC name of 4-amino-N-(2-methylpropyl)-2-phenylbutanamide (CID 112515492) is 4-amino-N-(2-methylpropyl)-2-phenylbutanamide.
What is the SMILES notation for 4-amino-N-(2-methylpropyl)-2-phenylbutanamide?
The canonical SMILES for 4-amino-N-(2-methylpropyl)-2-phenylbutanamide is CC(C)CNC(=O)C(CCN)c1ccccc1.
What is the InChIKey of 4-amino-N-(2-methylpropyl)-2-phenylbutanamide?
The InChIKey is WPWWYXYLYYXGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)10-16-14(17)13(8-9-15)12-6-4-3-5-7-12/h3-7,11,13H,8-10,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-(2-methylpropyl)-2-phenylbutanamide?
4-amino-N-(2-methylpropyl)-2-phenylbutanamide has a molecular weight of 234.34 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methylpropyl)-2-phenylbutanamide is sourced from PubChem (CID 112515492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).