N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide

C13H19NO2 — CID 11138684

IUPACN-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
SMILESCCC(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-4-12(15)14(3)10(2)13(16)11-8-6-5-7-9-11/h5-10,13,16H,4H2,1-3H3/t10-,13+/m0/s1
InChIKeyNOUIRZGGWSLLAJ-GXFFZTMASA-N
MW221.30 g/mol
LogP1.98
Rot. Bonds4

About N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide

N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide (PubChem CID 11138684) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
PubChem CID11138684
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
SMILESCCC(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-4-12(15)14(3)10(2)13(16)11-8-6-5-7-9-11/h5-10,13,16H,4H2,1-3H3/t10-,13+/m0/s1
InChIKeyNOUIRZGGWSLLAJ-GXFFZTMASA-N
XLogP1.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide 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

N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-phenylacetamide
CID 54856748
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyloctanamide
CID 54856883
(2R,3R)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpentanamide
CID 100922135
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide
CID 158962259
(4Z,7Z,10Z,13Z)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylheptadeca-4,7,10,13-tetraenamide
CID 145483279
(3R)-3-(4-fluorophenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11370953
2-[ethyl(methyl)amino]-1-phenylpropan-1-ol
CID 10734
1-(1-hydroxy-1-phenylpropan-2-yl)-1,3-dimethylurea
CID 23264849
2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 102065194
N'-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N'-methylpropanehydrazide
CID 46900882
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(4-phenylphenoxy)acetamide
CID 54856794
(3S)-3-(dibenzylamino)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
CID 11179393

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide?
The IUPAC name of N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide (CID 11138684) is N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide.
What is the SMILES notation for N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide?
The canonical SMILES for N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide is CCC(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1.
What is the InChIKey of N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide?
The InChIKey is NOUIRZGGWSLLAJ-GXFFZTMASA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-12(15)14(3)10(2)13(16)11-8-6-5-7-9-11/h5-10,13,16H,4H2,1-3H3/t10-,13+/m0/s1.
What are the key properties of N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide?
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide has a molecular weight of 221.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide is sourced from PubChem (CID 11138684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).