N-[(S)-phenyl-[(2R)-2-phenyloxiran-2-yl]methyl]-N-(2-phenylpropan-2-yl)hydroxylamine

C24H25NO2 — CID 134984568

IUPACN-[(S)-phenyl-[(2R)-2-phenyloxiran-2-yl]methyl]-N-(2-phenylpropan-2-yl)hydroxylamine
SMILESCC(C)(c1ccccc1)N(O)[C@@H](c1ccccc1)[C@]1(c2ccccc2)CO1
InChIInChI=1S/C24H25NO2/c1-23(2,20-14-8-4-9-15-20)25(26)22(19-12-6-3-7-13-19)24(18-27-24)21-16-10-5-11-17-21/h3-17,22,26H,18H2,1-2H3/t22-,24+/m0/s1
InChIKeyIITLIDKDRVVHTH-LADGPHEKSA-N
MW359.47 g/mol
LogP5.28
Rot. Bonds6

About N-[(S)-phenyl-[(2R)-2-phenyloxiran-2-yl]methyl]-N-(2-phenylpropan-2-yl)hydroxylamine

N-[(S)-phenyl-[(2R)-2-phenyloxiran-2-yl]methyl]-N-(2-phenylpropan-2-yl)hydroxylamine (PubChem CID 134984568) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[(S)-phenyl-[(2R)-2-phenyloxiran-2-yl]methyl]-N-(2-phenylpropan-2-yl)hydroxylamine.

Molecular Properties

Compound NameN-[(S)-phenyl-[(2R)-2-phenyloxiran-2-yl]methyl]-N-(2-phenylpropan-2-yl)hydroxylamine
PubChem CID134984568
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC NameN-[(S)-phenyl-[(2R)-2-phenyloxiran-2-yl]methyl]-N-(2-phenylpropan-2-yl)hydroxylamine
SMILESCC(C)(c1ccccc1)N(O)[C@@H](c1ccccc1)[C@]1(c2ccccc2)CO1
InChIInChI=1S/C24H25NO2/c1-23(2,20-14-8-4-9-15-20)25(26)22(19-12-6-3-7-13-19)24(18-27-24)21-16-10-5-11-17-21/h3-17,22,26H,18H2,1-2H3/t22-,24+/m0/s1
InChIKeyIITLIDKDRVVHTH-LADGPHEKSA-N
XLogP5.28
TPSA36.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.28
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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Frequently Asked Questions

What is the IUPAC name of N-[(S)-phenyl-[(2R)-2-phenyloxiran-2-yl]methyl]-N-(2-phenylpropan-2-yl)hydroxylamine?
The IUPAC name of N-[(S)-phenyl-[(2R)-2-phenyloxiran-2-yl]methyl]-N-(2-phenylpropan-2-yl)hydroxylamine (CID 134984568) is N-[(S)-phenyl-[(2R)-2-phenyloxiran-2-yl]methyl]-N-(2-phenylpropan-2-yl)hydroxylamine.
What is the SMILES notation for N-[(S)-phenyl-[(2R)-2-phenyloxiran-2-yl]methyl]-N-(2-phenylpropan-2-yl)hydroxylamine?
The canonical SMILES for N-[(S)-phenyl-[(2R)-2-phenyloxiran-2-yl]methyl]-N-(2-phenylpropan-2-yl)hydroxylamine is CC(C)(c1ccccc1)N(O)[C@@H](c1ccccc1)[C@]1(c2ccccc2)CO1.
What is the InChIKey of N-[(S)-phenyl-[(2R)-2-phenyloxiran-2-yl]methyl]-N-(2-phenylpropan-2-yl)hydroxylamine?
The InChIKey is IITLIDKDRVVHTH-LADGPHEKSA-N. The full InChI is InChI=1S/C24H25NO2/c1-23(2,20-14-8-4-9-15-20)25(26)22(19-12-6-3-7-13-19)24(18-27-24)21-16-10-5-11-17-21/h3-17,22,26H,18H2,1-2H3/t22-,24+/m0/s1.
What are the key properties of N-[(S)-phenyl-[(2R)-2-phenyloxiran-2-yl]methyl]-N-(2-phenylpropan-2-yl)hydroxylamine?
N-[(S)-phenyl-[(2R)-2-phenyloxiran-2-yl]methyl]-N-(2-phenylpropan-2-yl)hydroxylamine has a molecular weight of 359.47 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-phenyl-[(2R)-2-phenyloxiran-2-yl]methyl]-N-(2-phenylpropan-2-yl)hydroxylamine is sourced from PubChem (CID 134984568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).