N-(2-amino-3-hydroxybutyl)-2-methyl-2-phenylpropanamide

C14H22N2O2 — CID 64539763

IUPACN-(2-amino-3-hydroxybutyl)-2-methyl-2-phenylpropanamide
SMILESCC(O)C(N)CNC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-10(17)12(15)9-16-13(18)14(2,3)11-7-5-4-6-8-11/h4-8,10,12,17H,9,15H2,1-3H3,(H,16,18)
InChIKeyIUOZZVGBPYRXTJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.79
Rot. Bonds5

About N-(2-amino-3-hydroxybutyl)-2-methyl-2-phenylpropanamide

N-(2-amino-3-hydroxybutyl)-2-methyl-2-phenylpropanamide (PubChem CID 64539763) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)-2-methyl-2-phenylpropanamide
PubChem CID64539763
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(2-amino-3-hydroxybutyl)-2-methyl-2-phenylpropanamide
SMILESCC(O)C(N)CNC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-10(17)12(15)9-16-13(18)14(2,3)11-7-5-4-6-8-11/h4-8,10,12,17H,9,15H2,1-3H3,(H,16,18)
InChIKeyIUOZZVGBPYRXTJ-UHFFFAOYSA-N
XLogP0.79
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103730656
N-[(2R)-2-(ethylamino)propyl]-2-methyl-2-phenylpropanamide;hydrochloride
CID 120653206
2-methyl-2-phenyl-N-[2-(propan-2-ylamino)ethyl]propanamide
CID 62659574
N-(2-amino-3-hydroxybutyl)-3-phenylprop-2-ynamide
CID 64538951
N-(1-aminopropan-2-yl)-2-methyl-2-phenylpropanamide
CID 63731541
N-(2-acetamidoethyl)-2-methyl-2-phenylpropanamide
CID 110678562
N-(3,3-dimethyl-2-oxobutyl)-2-methyl-2-phenylpropanamide
CID 64991414
2-(4-chlorophenyl)-N-(2-hydroxypropyl)-2-methylpropanamide
CID 110466162
2-methyl-N-(2-methylprop-2-enyl)-2-phenylpropanamide
CID 114618287
N-[2-(aminomethyl)-2-ethylbutyl]-2-methyl-2-phenylpropanamide
CID 106250793
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methyl-2-phenylpropanamide
CID 134057259
N-(2-hydroxy-2-methylbutyl)-2-methyl-2-phenylpropanamide
CID 65114444

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)-2-methyl-2-phenylpropanamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)-2-methyl-2-phenylpropanamide (CID 64539763) is N-(2-amino-3-hydroxybutyl)-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)-2-methyl-2-phenylpropanamide is CC(O)C(N)CNC(=O)C(C)(C)c1ccccc1.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)-2-methyl-2-phenylpropanamide?
The InChIKey is IUOZZVGBPYRXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(17)12(15)9-16-13(18)14(2,3)11-7-5-4-6-8-11/h4-8,10,12,17H,9,15H2,1-3H3,(H,16,18).
What are the key properties of N-(2-amino-3-hydroxybutyl)-2-methyl-2-phenylpropanamide?
N-(2-amino-3-hydroxybutyl)-2-methyl-2-phenylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-hydroxybutyl)-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 64539763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).