N-tert-butyl-N-[(R)-phenyl-[(2R)-2-phenyloxiran-2-yl]methyl]hydroxylamine

C19H23NO2 — CID 101407281

IUPACN-tert-butyl-N-[(R)-phenyl-[(2R)-2-phenyloxiran-2-yl]methyl]hydroxylamine
SMILESCC(C)(C)N(O)[C@H](c1ccccc1)[C@]1(c2ccccc2)CO1
InChIInChI=1S/C19H23NO2/c1-18(2,3)20(21)17(15-10-6-4-7-11-15)19(14-22-19)16-12-8-5-9-13-16/h4-13,17,21H,14H2,1-3H3/t17-,19-/m1/s1
InChIKeyHAISXLFPHVLSEK-IEBWSBKVSA-N
MW297.40 g/mol
LogP4.14
Rot. Bonds4

About N-tert-butyl-N-[(R)-phenyl-[(2R)-2-phenyloxiran-2-yl]methyl]hydroxylamine

N-tert-butyl-N-[(R)-phenyl-[(2R)-2-phenyloxiran-2-yl]methyl]hydroxylamine (PubChem CID 101407281) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-tert-butyl-N-[(R)-phenyl-[(2R)-2-phenyloxiran-2-yl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-tert-butyl-N-[(R)-phenyl-[(2R)-2-phenyloxiran-2-yl]methyl]hydroxylamine
PubChem CID101407281
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-tert-butyl-N-[(R)-phenyl-[(2R)-2-phenyloxiran-2-yl]methyl]hydroxylamine
SMILESCC(C)(C)N(O)[C@H](c1ccccc1)[C@]1(c2ccccc2)CO1
InChIInChI=1S/C19H23NO2/c1-18(2,3)20(21)17(15-10-6-4-7-11-15)19(14-22-19)16-12-8-5-9-13-16/h4-13,17,21H,14H2,1-3H3/t17-,19-/m1/s1
InChIKeyHAISXLFPHVLSEK-IEBWSBKVSA-N
XLogP4.14
TPSA36.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-N-[(S)-(4-chlorophenyl)-[(2R)-2-phenyloxiran-2-yl]methyl]hydroxylamine
CID 134985454
N-[(S)-phenyl-[(2R)-2-phenyloxiran-2-yl]methyl]-N-(2-phenylpropan-2-yl)hydroxylamine
CID 134984568
N-tert-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine;methane
CID 158212954
N-[(R)-(4-chlorophenyl)-[(2S,3S)-2,3-diphenyloxiran-2-yl]methyl]-N-(2-phenylpropan-2-yl)hydroxylamine
CID 101407223
N-tert-butyl-N-(2-methyl-1-phenylpropyl)acetamide
CID 58983683
(2S)-2-methyl-2-phenyloxirane
CID 11629614
2,2-dimethyl-3,3-diphenylpropan-1-ol
CID 15315706
2-(dimethylamino)-1-(2-phenyl-1,4-dioxan-2-yl)ethanol
CID 174699035
(R)-phenyl-(2-phenyl-1,3-dioxolan-2-yl)methanol
CID 41097603
N,N,N',N'-tetratert-butyl-1-phenylmethanediamine
CID 132599756
2-methylpropan-2-ol;1-phenylethanol
CID 160949043
(2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane
CID 1203325

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[(R)-phenyl-[(2R)-2-phenyloxiran-2-yl]methyl]hydroxylamine?
The IUPAC name of N-tert-butyl-N-[(R)-phenyl-[(2R)-2-phenyloxiran-2-yl]methyl]hydroxylamine (CID 101407281) is N-tert-butyl-N-[(R)-phenyl-[(2R)-2-phenyloxiran-2-yl]methyl]hydroxylamine.
What is the SMILES notation for N-tert-butyl-N-[(R)-phenyl-[(2R)-2-phenyloxiran-2-yl]methyl]hydroxylamine?
The canonical SMILES for N-tert-butyl-N-[(R)-phenyl-[(2R)-2-phenyloxiran-2-yl]methyl]hydroxylamine is CC(C)(C)N(O)[C@H](c1ccccc1)[C@]1(c2ccccc2)CO1.
What is the InChIKey of N-tert-butyl-N-[(R)-phenyl-[(2R)-2-phenyloxiran-2-yl]methyl]hydroxylamine?
The InChIKey is HAISXLFPHVLSEK-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H23NO2/c1-18(2,3)20(21)17(15-10-6-4-7-11-15)19(14-22-19)16-12-8-5-9-13-16/h4-13,17,21H,14H2,1-3H3/t17-,19-/m1/s1.
What are the key properties of N-tert-butyl-N-[(R)-phenyl-[(2R)-2-phenyloxiran-2-yl]methyl]hydroxylamine?
N-tert-butyl-N-[(R)-phenyl-[(2R)-2-phenyloxiran-2-yl]methyl]hydroxylamine has a molecular weight of 297.40 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[(R)-phenyl-[(2R)-2-phenyloxiran-2-yl]methyl]hydroxylamine is sourced from PubChem (CID 101407281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).