N-[(R)-(4-chlorophenyl)-[(2S,3S)-2,3-diphenyloxiran-2-yl]methyl]-N-(2-phenylpropan-2-yl)hydroxylamine

C30H28ClNO2 — CID 101407223

IUPACN-[(R)-(4-chlorophenyl)-[(2S,3S)-2,3-diphenyloxiran-2-yl]methyl]-N-(2-phenylpropan-2-yl)hydroxylamine
SMILESCC(C)(c1ccccc1)N(O)[C@H](c1ccc(Cl)cc1)[C@]1(c2ccccc2)O[C@H]1c1ccccc1
InChIInChI=1S/C30H28ClNO2/c1-29(2,24-14-8-4-9-15-24)32(33)27(22-18-20-26(31)21-19-22)30(25-16-10-5-11-17-25)28(34-30)23-12-6-3-7-13-23/h3-21,27-28,33H,1-2H3/t27-,28+,30+/m1/s1
InChIKeyVWYNBWRWKPLDQG-UNRZKBSHSA-N
MW470.01 g/mol
LogP7.67
Rot. Bonds7

About N-[(R)-(4-chlorophenyl)-[(2S,3S)-2,3-diphenyloxiran-2-yl]methyl]-N-(2-phenylpropan-2-yl)hydroxylamine

N-[(R)-(4-chlorophenyl)-[(2S,3S)-2,3-diphenyloxiran-2-yl]methyl]-N-(2-phenylpropan-2-yl)hydroxylamine (PubChem CID 101407223) has the molecular formula C30H28ClNO2 and a molecular weight of 470.01 g/mol. Its IUPAC name is N-[(R)-(4-chlorophenyl)-[(2S,3S)-2,3-diphenyloxiran-2-yl]methyl]-N-(2-phenylpropan-2-yl)hydroxylamine.

Molecular Properties

Compound NameN-[(R)-(4-chlorophenyl)-[(2S,3S)-2,3-diphenyloxiran-2-yl]methyl]-N-(2-phenylpropan-2-yl)hydroxylamine
PubChem CID101407223
Molecular FormulaC30H28ClNO2
Molecular Weight470.01 g/mol
Exact Mass469.18
IUPAC NameN-[(R)-(4-chlorophenyl)-[(2S,3S)-2,3-diphenyloxiran-2-yl]methyl]-N-(2-phenylpropan-2-yl)hydroxylamine
SMILESCC(C)(c1ccccc1)N(O)[C@H](c1ccc(Cl)cc1)[C@]1(c2ccccc2)O[C@H]1c1ccccc1
InChIInChI=1S/C30H28ClNO2/c1-29(2,24-14-8-4-9-15-24)32(33)27(22-18-20-26(31)21-19-22)30(25-16-10-5-11-17-25)28(34-30)23-12-6-3-7-13-23/h3-21,27-28,33H,1-2H3/t27-,28+,30+/m1/s1
InChIKeyVWYNBWRWKPLDQG-UNRZKBSHSA-N
XLogP7.67
TPSA36.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.01
LogP ≤ 57.67
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-[(S)-phenyl-[(2R)-2-phenyloxiran-2-yl]methyl]-N-(2-phenylpropan-2-yl)hydroxylamine
CID 134984568
N-tert-butyl-N-[(S)-(4-chlorophenyl)-[(2R)-2-phenyloxiran-2-yl]methyl]hydroxylamine
CID 134985454
N-[(S)-(4-methoxyphenyl)-[(2R)-2-phenyloxiran-2-yl]methyl]-N-(2-phenylpropan-2-yl)hydroxylamine
CID 134985455
(S)-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]-phenylmethanol
CID 101407270
(1R)-1-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]ethanol
CID 101407268
1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-amine
CID 43184848
N-tert-butyl-N-[(R)-phenyl-[(2R)-2-phenyloxiran-2-yl]methyl]hydroxylamine
CID 101407281
(2R,3R)-2-methyl-2,3-diphenyloxirane
CID 11031103
1-chloro-4-(1,2-diphenylcyclopropyl)benzene
CID 166440166
(3R)-2,2-bis(4-tert-butylphenyl)-3-phenyloxirane
CID 102401506
(4S)-3-[(2S)-2-(4-chlorophenyl)propanoyl]-4,5,5-triphenyl-1,3-oxazolidin-2-one
CID 102413091
(R)-[(2S,3R)-3-methyl-2-phenyloxiran-2-yl]-phenylmethanol
CID 134931163

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-chlorophenyl)-[(2S,3S)-2,3-diphenyloxiran-2-yl]methyl]-N-(2-phenylpropan-2-yl)hydroxylamine?
The IUPAC name of N-[(R)-(4-chlorophenyl)-[(2S,3S)-2,3-diphenyloxiran-2-yl]methyl]-N-(2-phenylpropan-2-yl)hydroxylamine (CID 101407223) is N-[(R)-(4-chlorophenyl)-[(2S,3S)-2,3-diphenyloxiran-2-yl]methyl]-N-(2-phenylpropan-2-yl)hydroxylamine.
What is the SMILES notation for N-[(R)-(4-chlorophenyl)-[(2S,3S)-2,3-diphenyloxiran-2-yl]methyl]-N-(2-phenylpropan-2-yl)hydroxylamine?
The canonical SMILES for N-[(R)-(4-chlorophenyl)-[(2S,3S)-2,3-diphenyloxiran-2-yl]methyl]-N-(2-phenylpropan-2-yl)hydroxylamine is CC(C)(c1ccccc1)N(O)[C@H](c1ccc(Cl)cc1)[C@]1(c2ccccc2)O[C@H]1c1ccccc1.
What is the InChIKey of N-[(R)-(4-chlorophenyl)-[(2S,3S)-2,3-diphenyloxiran-2-yl]methyl]-N-(2-phenylpropan-2-yl)hydroxylamine?
The InChIKey is VWYNBWRWKPLDQG-UNRZKBSHSA-N. The full InChI is InChI=1S/C30H28ClNO2/c1-29(2,24-14-8-4-9-15-24)32(33)27(22-18-20-26(31)21-19-22)30(25-16-10-5-11-17-25)28(34-30)23-12-6-3-7-13-23/h3-21,27-28,33H,1-2H3/t27-,28+,30+/m1/s1.
What are the key properties of N-[(R)-(4-chlorophenyl)-[(2S,3S)-2,3-diphenyloxiran-2-yl]methyl]-N-(2-phenylpropan-2-yl)hydroxylamine?
N-[(R)-(4-chlorophenyl)-[(2S,3S)-2,3-diphenyloxiran-2-yl]methyl]-N-(2-phenylpropan-2-yl)hydroxylamine has a molecular weight of 470.01 g/mol, XLogP of 7.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-chlorophenyl)-[(2S,3S)-2,3-diphenyloxiran-2-yl]methyl]-N-(2-phenylpropan-2-yl)hydroxylamine is sourced from PubChem (CID 101407223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).