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

C14H22N2O2 — CID 65106056

IUPAC3-amino-N-(2-hydroxy-2-methylbutyl)-2-phenylpropanamide
SMILESCCC(C)(O)CNC(=O)C(CN)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-3-14(2,18)10-16-13(17)12(9-15)11-7-5-4-6-8-11/h4-8,12,18H,3,9-10,15H2,1-2H3,(H,16,17)
InChIKeyGEXHVMAXQRRKKU-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.01
Rot. Bonds6

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

3-amino-N-(2-hydroxy-2-methylbutyl)-2-phenylpropanamide (PubChem CID 65106056) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxy-2-methylbutyl)-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxy-2-methylbutyl)-2-phenylpropanamide
PubChem CID65106056
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-N-(2-hydroxy-2-methylbutyl)-2-phenylpropanamide
SMILESCCC(C)(O)CNC(=O)C(CN)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-3-14(2,18)10-16-13(17)12(9-15)11-7-5-4-6-8-11/h4-8,12,18H,3,9-10,15H2,1-2H3,(H,16,17)
InChIKeyGEXHVMAXQRRKKU-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-ethyl-2-hydroxybutyl)-2-phenylpropanamide
CID 65106734
3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylpropanamide
CID 66174479
3-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylpropanamide
CID 103812535
3-amino-N-(2-methyl-2-phenylpropyl)-2-phenylpropanamide;hydrochloride
CID 119724299
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylbutanamide
CID 103681477
3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-2-phenylpropanamide
CID 80526634
3-[(2-hydroxy-2-methylbutyl)amino]-2-phenylpropanoic acid
CID 65106380
methyl 3-[(2-hydroxy-2-methylbutyl)amino]-2-phenylpropanoate
CID 65106276
3-amino-2-phenyl-N-(2-phenylethyl)propanamide
CID 62879042
2-[[(3-amino-2-phenylpropanoyl)amino]methyl]-3-methylbutanoic acid
CID 65224383
2-[[(3-amino-2-phenylpropanoyl)amino]methyl]butanoic acid
CID 65224288
4-amino-N-(2-hydroxy-2-methylbutyl)-4-phenylbutanamide
CID 65106116

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxy-2-methylbutyl)-2-phenylpropanamide?
The IUPAC name of 3-amino-N-(2-hydroxy-2-methylbutyl)-2-phenylpropanamide (CID 65106056) is 3-amino-N-(2-hydroxy-2-methylbutyl)-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(2-hydroxy-2-methylbutyl)-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-(2-hydroxy-2-methylbutyl)-2-phenylpropanamide is CCC(C)(O)CNC(=O)C(CN)c1ccccc1.
What is the InChIKey of 3-amino-N-(2-hydroxy-2-methylbutyl)-2-phenylpropanamide?
The InChIKey is GEXHVMAXQRRKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-14(2,18)10-16-13(17)12(9-15)11-7-5-4-6-8-11/h4-8,12,18H,3,9-10,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-N-(2-hydroxy-2-methylbutyl)-2-phenylpropanamide?
3-amino-N-(2-hydroxy-2-methylbutyl)-2-phenylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 1.01, 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-2-methylbutyl)-2-phenylpropanamide is sourced from PubChem (CID 65106056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).