N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylnitrous amide

C10H14N2O2 — CID 5354526

IUPACN-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylnitrous amide
SMILESC[C@@H]([C@H](O)c1ccccc1)N(C)N=O
InChIInChI=1S/C10H14N2O2/c1-8(12(2)11-14)10(13)9-6-4-3-5-7-9/h3-8,10,13H,1-2H3/t8-,10-/m0/s1
InChIKeyZVTOLKAVCZXHFM-WPRPVWTQSA-N
MW194.23 g/mol
LogP1.72
Rot. Bonds4

About N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylnitrous amide

N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylnitrous amide (PubChem CID 5354526) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylnitrous amide.

Molecular Properties

Compound NameN-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylnitrous amide
PubChem CID5354526
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC NameN-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylnitrous amide
SMILESC[C@@H]([C@H](O)c1ccccc1)N(C)N=O
InChIInChI=1S/C10H14N2O2/c1-8(12(2)11-14)10(13)9-6-4-3-5-7-9/h3-8,10,13H,1-2H3/t8-,10-/m0/s1
InChIKeyZVTOLKAVCZXHFM-WPRPVWTQSA-N
XLogP1.72
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylnitrous amide?
The IUPAC name of N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylnitrous amide (CID 5354526) is N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylnitrous amide.
What is the SMILES notation for N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylnitrous amide?
The canonical SMILES for N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylnitrous amide is C[C@@H]([C@H](O)c1ccccc1)N(C)N=O.
What is the InChIKey of N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylnitrous amide?
The InChIKey is ZVTOLKAVCZXHFM-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8(12(2)11-14)10(13)9-6-4-3-5-7-9/h3-8,10,13H,1-2H3/t8-,10-/m0/s1.
What are the key properties of N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylnitrous amide?
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylnitrous amide has a molecular weight of 194.23 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 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-methylnitrous amide is sourced from PubChem (CID 5354526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).