ethyl N-[(3S)-5-oxo-2,2-diphenyloxolan-3-yl]carbamate

C19H19NO4 — CID 101097406

IUPACethyl N-[(3S)-5-oxo-2,2-diphenyloxolan-3-yl]carbamate
SMILESCCOC(=O)N[C@H]1CC(=O)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO4/c1-2-23-18(22)20-16-13-17(21)24-19(16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyKJKPANVGNMZDQB-INIZCTEOSA-N
MW325.36 g/mol
LogP2.99
Rot. Bonds4

About ethyl N-[(3S)-5-oxo-2,2-diphenyloxolan-3-yl]carbamate

ethyl N-[(3S)-5-oxo-2,2-diphenyloxolan-3-yl]carbamate (PubChem CID 101097406) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is ethyl N-[(3S)-5-oxo-2,2-diphenyloxolan-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(3S)-5-oxo-2,2-diphenyloxolan-3-yl]carbamate
PubChem CID101097406
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Nameethyl N-[(3S)-5-oxo-2,2-diphenyloxolan-3-yl]carbamate
SMILESCCOC(=O)N[C@H]1CC(=O)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO4/c1-2-23-18(22)20-16-13-17(21)24-19(16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyKJKPANVGNMZDQB-INIZCTEOSA-N
XLogP2.99
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3S)-5-oxo-2,2-diphenyloxolan-3-yl]carbamate?
The IUPAC name of ethyl N-[(3S)-5-oxo-2,2-diphenyloxolan-3-yl]carbamate (CID 101097406) is ethyl N-[(3S)-5-oxo-2,2-diphenyloxolan-3-yl]carbamate.
What is the SMILES notation for ethyl N-[(3S)-5-oxo-2,2-diphenyloxolan-3-yl]carbamate?
The canonical SMILES for ethyl N-[(3S)-5-oxo-2,2-diphenyloxolan-3-yl]carbamate is CCOC(=O)N[C@H]1CC(=O)OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl N-[(3S)-5-oxo-2,2-diphenyloxolan-3-yl]carbamate?
The InChIKey is KJKPANVGNMZDQB-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19NO4/c1-2-23-18(22)20-16-13-17(21)24-19(16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3,(H,20,22)/t16-/m0/s1.
What are the key properties of ethyl N-[(3S)-5-oxo-2,2-diphenyloxolan-3-yl]carbamate?
ethyl N-[(3S)-5-oxo-2,2-diphenyloxolan-3-yl]carbamate has a molecular weight of 325.36 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3S)-5-oxo-2,2-diphenyloxolan-3-yl]carbamate is sourced from PubChem (CID 101097406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).