N'-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N'-methylpropanehydrazide

C13H20N2O2 — CID 46900882

IUPACN'-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N'-methylpropanehydrazide
SMILESCCC(=O)NN(C)[C@@H](C)[C@H](O)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-4-12(16)14-15(3)10(2)13(17)11-8-6-5-7-9-11/h5-10,13,17H,4H2,1-3H3,(H,14,16)/t10-,13-/m0/s1
InChIKeyHTMGSFQECALPLG-GWCFXTLKSA-N
MW236.31 g/mol
LogP1.48
Rot. Bonds5

About N'-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N'-methylpropanehydrazide

N'-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N'-methylpropanehydrazide (PubChem CID 46900882) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N'-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N'-methylpropanehydrazide.

Molecular Properties

Compound NameN'-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N'-methylpropanehydrazide
PubChem CID46900882
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN'-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N'-methylpropanehydrazide
SMILESCCC(=O)NN(C)[C@@H](C)[C@H](O)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-4-12(16)14-15(3)10(2)13(17)11-8-6-5-7-9-11/h5-10,13,17H,4H2,1-3H3,(H,14,16)/t10-,13-/m0/s1
InChIKeyHTMGSFQECALPLG-GWCFXTLKSA-N
XLogP1.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11138684
2-[ethyl(methyl)amino]-1-phenylpropan-1-ol
CID 10734
N-(3-hydroxy-2-methyl-3-phenylpropyl)propanamide
CID 67678172
2-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetohydrazide
CID 26416444
(1S,2R)-2-(dipropylamino)-1-phenylpropan-1-ol
CID 11118019
1-(1-hydroxy-1-phenylpropan-2-yl)-1,3-dimethylurea
CID 23264849
1-[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]propan-2-one
CID 85280198
(1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol
CID 102595877
(2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 163285620
(1S,2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 3041454
(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

Frequently Asked Questions

What is the IUPAC name of N'-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N'-methylpropanehydrazide?
The IUPAC name of N'-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N'-methylpropanehydrazide (CID 46900882) is N'-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N'-methylpropanehydrazide.
What is the SMILES notation for N'-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N'-methylpropanehydrazide?
The canonical SMILES for N'-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N'-methylpropanehydrazide is CCC(=O)NN(C)[C@@H](C)[C@H](O)c1ccccc1.
What is the InChIKey of N'-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N'-methylpropanehydrazide?
The InChIKey is HTMGSFQECALPLG-GWCFXTLKSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-12(16)14-15(3)10(2)13(17)11-8-6-5-7-9-11/h5-10,13,17H,4H2,1-3H3,(H,14,16)/t10-,13-/m0/s1.
What are the key properties of N'-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N'-methylpropanehydrazide?
N'-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N'-methylpropanehydrazide has a molecular weight of 236.31 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N'-methylpropanehydrazide is sourced from PubChem (CID 46900882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).