(3R,4R)-4-methyl-4-phenyl-3-(phenylmethoxyamino)oxolan-2-one

C18H19NO3 — CID 162397018

IUPAC(3R,4R)-4-methyl-4-phenyl-3-(phenylmethoxyamino)oxolan-2-one
SMILESC[C@]1(c2ccccc2)COC(=O)[C@@H]1NOCc1ccccc1
InChIInChI=1S/C18H19NO3/c1-18(15-10-6-3-7-11-15)13-21-17(20)16(18)19-22-12-14-8-4-2-5-9-14/h2-11,16,19H,12-13H2,1H3/t16-,18+/m0/s1
InChIKeyPABIMDFYHHDQPC-FUHWJXTLSA-N
MW297.35 g/mol
LogP2.59
Rot. Bonds5

About (3R,4R)-4-methyl-4-phenyl-3-(phenylmethoxyamino)oxolan-2-one

(3R,4R)-4-methyl-4-phenyl-3-(phenylmethoxyamino)oxolan-2-one (PubChem CID 162397018) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (3R,4R)-4-methyl-4-phenyl-3-(phenylmethoxyamino)oxolan-2-one.

Molecular Properties

Compound Name(3R,4R)-4-methyl-4-phenyl-3-(phenylmethoxyamino)oxolan-2-one
PubChem CID162397018
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(3R,4R)-4-methyl-4-phenyl-3-(phenylmethoxyamino)oxolan-2-one
SMILESC[C@]1(c2ccccc2)COC(=O)[C@@H]1NOCc1ccccc1
InChIInChI=1S/C18H19NO3/c1-18(15-10-6-3-7-11-15)13-21-17(20)16(18)19-22-12-14-8-4-2-5-9-14/h2-11,16,19H,12-13H2,1H3/t16-,18+/m0/s1
InChIKeyPABIMDFYHHDQPC-FUHWJXTLSA-N
XLogP2.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-methyl-4-phenyl-3-(phenylmethoxyamino)oxolan-2-one?
The IUPAC name of (3R,4R)-4-methyl-4-phenyl-3-(phenylmethoxyamino)oxolan-2-one (CID 162397018) is (3R,4R)-4-methyl-4-phenyl-3-(phenylmethoxyamino)oxolan-2-one.
What is the SMILES notation for (3R,4R)-4-methyl-4-phenyl-3-(phenylmethoxyamino)oxolan-2-one?
The canonical SMILES for (3R,4R)-4-methyl-4-phenyl-3-(phenylmethoxyamino)oxolan-2-one is C[C@]1(c2ccccc2)COC(=O)[C@@H]1NOCc1ccccc1.
What is the InChIKey of (3R,4R)-4-methyl-4-phenyl-3-(phenylmethoxyamino)oxolan-2-one?
The InChIKey is PABIMDFYHHDQPC-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H19NO3/c1-18(15-10-6-3-7-11-15)13-21-17(20)16(18)19-22-12-14-8-4-2-5-9-14/h2-11,16,19H,12-13H2,1H3/t16-,18+/m0/s1.
What are the key properties of (3R,4R)-4-methyl-4-phenyl-3-(phenylmethoxyamino)oxolan-2-one?
(3R,4R)-4-methyl-4-phenyl-3-(phenylmethoxyamino)oxolan-2-one has a molecular weight of 297.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-methyl-4-phenyl-3-(phenylmethoxyamino)oxolan-2-one is sourced from PubChem (CID 162397018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).