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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Related Compounds

ethyl N-[(2S,3S)-3-hydroxy-3-phenyl-1,2-dihydroinden-2-yl]carbamate
CID 101189373
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CID 110445044
ethyl (1R,5S,7S)-8,8-dimethyl-3-oxo-1-phenyl-2-oxa-6-azabicyclo[3.2.1]octane-7-carboxylate
CID 11833604
ethyl 2-(methylamino)-1-phenylcyclohexane-1-carboxylate
CID 91750699
ethyl N-[(4R,5S)-4-hydroxy-2-methyl-4-phenyl-5H-1,3-thiazol-5-yl]carbamate
CID 821711
methyl (2S,3R)-2-methyl-5-oxo-2-phenyloxolane-3-carboxylate
CID 102364670
ethyl N-(3-amino-2,2-dimethylcyclobutyl)carbamate
CID 114632504
ethyl N-(2,2-dimethylthietan-3-yl)carbamate
CID 130725515
ethyl (3R,4R)-4-hydroxy-5-oxo-3-phenyloxolane-3-carboxylate
CID 10332326
ethyl (2R,3S)-5-oxo-2-phenyloxolane-3-carboxylate
CID 14399422
diethyl 2-[(1R,2S)-2-methyl-5-oxo-2-phenylcyclohex-3-en-1-yl]propanedioate
CID 102204126
cis-ethyl (1R,2S)-2-acetyl-2-phenylcyclopropane-1-carboxylate
CID 90361588

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).