2-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylpropanamide

C14H22N2O2 — CID 79379287

IUPAC2-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylpropanamide
SMILESCN(CC(C)(C)O)C(=O)C(N)Cc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-14(2,18)10-16(3)13(17)12(15)9-11-7-5-4-6-8-11/h4-8,12,18H,9-10,15H2,1-3H3
InChIKeySTOCSCLKBNWINW-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.79
Rot. Bonds5

About 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylpropanamide

2-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylpropanamide (PubChem CID 79379287) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylpropanamide
PubChem CID79379287
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylpropanamide
SMILESCN(CC(C)(C)O)C(=O)C(N)Cc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-14(2,18)10-16(3)13(17)12(15)9-11-7-5-4-6-8-11/h4-8,12,18H,9-10,15H2,1-3H3
InChIKeySTOCSCLKBNWINW-UHFFFAOYSA-N
XLogP0.79
TPSA66.56 Ų
H-Bond Donors2
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 ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylpropanamide 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

(2S)-2-amino-N-(2-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 79379558
(2R)-2-amino-N-(2-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104905331
(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119314932
2-amino-N-methyl-3-phenyl-N-propylpropanamide
CID 43271352
(2R)-2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-3-phenylpropanamide
CID 78985588
(2R)-2-amino-N-(3-hydroxybutyl)-N-methyl-3-phenylpropanamide
CID 103797277
(2S)-2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119266895
(2R)-2-amino-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
CID 78984867
2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide
CID 79377752
(2R)-2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-3-phenylpropanoic acid
CID 104902445
methyl 3-[[(2S)-2-amino-3-phenylpropanoyl]-methylamino]-2-methylpropanoate
CID 61163621
6-[(2-amino-3-phenylpropanoyl)-methylamino]hexanoic acid
CID 70550691

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylpropanamide?
The IUPAC name of 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylpropanamide (CID 79379287) is 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylpropanamide is CN(CC(C)(C)O)C(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylpropanamide?
The InChIKey is STOCSCLKBNWINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,18)10-16(3)13(17)12(15)9-11-7-5-4-6-8-11/h4-8,12,18H,9-10,15H2,1-3H3.
What are the key properties of 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylpropanamide?
2-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 79379287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).