3-amino-N-(2-hydroxy-3-methylbutyl)-2-phenylpropanamide

C14H22N2O2 — CID 113492233

IUPAC3-amino-N-(2-hydroxy-3-methylbutyl)-2-phenylpropanamide
SMILESCC(C)C(O)CNC(=O)C(CN)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-10(2)13(17)9-16-14(18)12(8-15)11-6-4-3-5-7-11/h3-7,10,12-13,17H,8-9,15H2,1-2H3,(H,16,18)
InChIKeyPTTUTZKSBZSPGD-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.86
Rot. Bonds6

About 3-amino-N-(2-hydroxy-3-methylbutyl)-2-phenylpropanamide

3-amino-N-(2-hydroxy-3-methylbutyl)-2-phenylpropanamide (PubChem CID 113492233) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxy-3-methylbutyl)-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxy-3-methylbutyl)-2-phenylpropanamide
PubChem CID113492233
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-N-(2-hydroxy-3-methylbutyl)-2-phenylpropanamide
SMILESCC(C)C(O)CNC(=O)C(CN)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-10(2)13(17)9-16-14(18)12(8-15)11-6-4-3-5-7-11/h3-7,10,12-13,17H,8-9,15H2,1-2H3,(H,16,18)
InChIKeyPTTUTZKSBZSPGD-UHFFFAOYSA-N
XLogP0.86
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3-amino-2-phenylpropanoyl)amino]methyl]-3-methylbutanoic acid
CID 65224383
3-amino-N-(2-cyclopropylpropyl)-2-phenylpropanamide
CID 115738526
2-[[(3-amino-2-phenylpropanoyl)amino]methyl]butanoic acid
CID 65224288
3-amino-2-phenyl-N-(2-phenylethyl)propanamide
CID 62879042
4-amino-N-(2-methylpropyl)-2-phenylbutanamide
CID 112515492
3-amino-N-(2-ethylhexyl)-2-phenylpropanamide
CID 62878370
5-[(3-amino-2-phenylpropanoyl)amino]pentanamide
CID 106235045
(2R)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-phenylpropanamide
CID 113492232
2-[(3-amino-2-phenylpropanoyl)amino]-3-methylbutanamide
CID 106344661
3-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 119831385
3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride
CID 119798622
3-amino-N-(1-hydroxypropan-2-yl)-2-phenylpropanamide
CID 62877991

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxy-3-methylbutyl)-2-phenylpropanamide?
The IUPAC name of 3-amino-N-(2-hydroxy-3-methylbutyl)-2-phenylpropanamide (CID 113492233) is 3-amino-N-(2-hydroxy-3-methylbutyl)-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(2-hydroxy-3-methylbutyl)-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-(2-hydroxy-3-methylbutyl)-2-phenylpropanamide is CC(C)C(O)CNC(=O)C(CN)c1ccccc1.
What is the InChIKey of 3-amino-N-(2-hydroxy-3-methylbutyl)-2-phenylpropanamide?
The InChIKey is PTTUTZKSBZSPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)13(17)9-16-14(18)12(8-15)11-6-4-3-5-7-11/h3-7,10,12-13,17H,8-9,15H2,1-2H3,(H,16,18).
What are the key properties of 3-amino-N-(2-hydroxy-3-methylbutyl)-2-phenylpropanamide?
3-amino-N-(2-hydroxy-3-methylbutyl)-2-phenylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxy-3-methylbutyl)-2-phenylpropanamide is sourced from PubChem (CID 113492233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).