N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylnitrous amide

C15H16N2O2 — CID 52937623

IUPACN-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylnitrous amide
SMILESCN(N=O)[C@H](c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C15H16N2O2/c1-17(16-19)14(12-8-4-2-5-9-12)15(18)13-10-6-3-7-11-13/h2-11,14-15,18H,1H3/t14-,15-/m1/s1
InChIKeyTWPQKNNOJQYJTP-HUUCEWRRSA-N
MW256.31 g/mol
LogP3.07
Rot. Bonds5

About N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylnitrous amide

N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylnitrous amide (PubChem CID 52937623) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylnitrous amide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylnitrous amide
PubChem CID52937623
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylnitrous amide
SMILESCN(N=O)[C@H](c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C15H16N2O2/c1-17(16-19)14(12-8-4-2-5-9-12)15(18)13-10-6-3-7-11-13/h2-11,14-15,18H,1H3/t14-,15-/m1/s1
InChIKeyTWPQKNNOJQYJTP-HUUCEWRRSA-N
XLogP3.07
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.07
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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Related Compounds

CID 100998329
CID 100998329
(2R)-2-[amino(methyl)amino]-1,2-diphenylethanol;(Z)-but-2-enedioic acid
CID 161238687
2-[2-hydroxyethyl(methyl)amino]-1,2-diphenylethanol
CID 14391199
1,2-diphenylethane-1,2-diol
CID 159073808
(2S,3R)-2-amino-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-phenylbutanamide
CID 134544444
2-[ethyl(methyl)amino]-1-phenylpropan-1-ol
CID 10734
(2S,3R)-2,3-dihydroxy-N,N-dimethyl-3-phenylpropanamide
CID 102048863
(1S)-1,2,2-triphenylethanol
CID 38988933
1,2,3-triphenylpropane-1,3-diol
CID 59738959
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
(2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 163285620
(1S,2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 3041454

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylnitrous amide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylnitrous amide (CID 52937623) is N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylnitrous amide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylnitrous amide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylnitrous amide is CN(N=O)[C@H](c1ccccc1)[C@H](O)c1ccccc1.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylnitrous amide?
The InChIKey is TWPQKNNOJQYJTP-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-17(16-19)14(12-8-4-2-5-9-12)15(18)13-10-6-3-7-11-13/h2-11,14-15,18H,1H3/t14-,15-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylnitrous amide?
N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylnitrous amide has a molecular weight of 256.31 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylnitrous amide is sourced from PubChem (CID 52937623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).