N-(2-hydroxy-2-phenylethyl)-2-methyl-3-(methylamino)propanamide

C13H20N2O2 — CID 79195494

IUPACN-(2-hydroxy-2-phenylethyl)-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCC(O)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-10(8-14-2)13(17)15-9-12(16)11-6-4-3-5-7-11/h3-7,10,12,14,16H,8-9H2,1-2H3,(H,15,17)
InChIKeyWEOGFWGMJNWUOU-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.69
Rot. Bonds6

About N-(2-hydroxy-2-phenylethyl)-2-methyl-3-(methylamino)propanamide

N-(2-hydroxy-2-phenylethyl)-2-methyl-3-(methylamino)propanamide (PubChem CID 79195494) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-2-methyl-3-(methylamino)propanamide
PubChem CID79195494
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(2-hydroxy-2-phenylethyl)-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCC(O)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-10(8-14-2)13(17)15-9-12(16)11-6-4-3-5-7-11/h3-7,10,12,14,16H,8-9H2,1-2H3,(H,15,17)
InChIKeyWEOGFWGMJNWUOU-UHFFFAOYSA-N
XLogP0.69
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(methylamino)-N-(3-methyl-2-phenylbutyl)propanamide
CID 119732056
(2R)-2-hydroxy-N-[(2S)-2-hydroxy-2-phenylethyl]-2-phenylacetamide
CID 102071059
N-(2-methoxy-2-phenylethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119703920
(2R)-2-anilino-N-[(2R)-2-hydroxy-2-phenylethyl]butanamide
CID 94824467
2-methyl-3-(methylamino)-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669709
N-[2-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide
CID 119885715
N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 40978744
2,2,2-trifluoro-N-(2-hydroxy-2-phenylethyl)acetamide
CID 11117946
N-(1,3-diphenylpropyl)-2-methyl-3-(methylamino)propanamide
CID 119737624
4-[[2-methyl-3-(methylamino)propanoyl]amino]-4-phenylbutanoic acid
CID 79203169
2-methyl-3-(methylamino)-N-(2-methyl-3-phenylmethoxypropyl)propanamide;hydrochloride
CID 119750664
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-2-methyl-3-(methylamino)propanamide (CID 79195494) is N-(2-hydroxy-2-phenylethyl)-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)NCC(O)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-2-methyl-3-(methylamino)propanamide?
The InChIKey is WEOGFWGMJNWUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(8-14-2)13(17)15-9-12(16)11-6-4-3-5-7-11/h3-7,10,12,14,16H,8-9H2,1-2H3,(H,15,17).
What are the key properties of N-(2-hydroxy-2-phenylethyl)-2-methyl-3-(methylamino)propanamide?
N-(2-hydroxy-2-phenylethyl)-2-methyl-3-(methylamino)propanamide has a molecular weight of 236.31 g/mol, XLogP of 0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 79195494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).