methyl N-benzyl-N-[(3S,5R)-5-tert-butyl-2-oxooxolan-3-yl]carbamate

C17H23NO4 — CID 95988525

IUPACmethyl N-benzyl-N-[(3S,5R)-5-tert-butyl-2-oxooxolan-3-yl]carbamate
SMILESCOC(=O)N(Cc1ccccc1)[C@H]1C[C@H](C(C)(C)C)OC1=O
InChIInChI=1S/C17H23NO4/c1-17(2,3)14-10-13(15(19)22-14)18(16(20)21-4)11-12-8-6-5-7-9-12/h5-9,13-14H,10-11H2,1-4H3/t13-,14+/m0/s1
InChIKeyFWYGHYKMEPEJDC-UONOGXRCSA-N
MW305.37 g/mol
LogP2.99
Rot. Bonds3

About methyl N-benzyl-N-[(3S,5R)-5-tert-butyl-2-oxooxolan-3-yl]carbamate

methyl N-benzyl-N-[(3S,5R)-5-tert-butyl-2-oxooxolan-3-yl]carbamate (PubChem CID 95988525) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is methyl N-benzyl-N-[(3S,5R)-5-tert-butyl-2-oxooxolan-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-benzyl-N-[(3S,5R)-5-tert-butyl-2-oxooxolan-3-yl]carbamate
PubChem CID95988525
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Namemethyl N-benzyl-N-[(3S,5R)-5-tert-butyl-2-oxooxolan-3-yl]carbamate
SMILESCOC(=O)N(Cc1ccccc1)[C@H]1C[C@H](C(C)(C)C)OC1=O
InChIInChI=1S/C17H23NO4/c1-17(2,3)14-10-13(15(19)22-14)18(16(20)21-4)11-12-8-6-5-7-9-12/h5-9,13-14H,10-11H2,1-4H3/t13-,14+/m0/s1
InChIKeyFWYGHYKMEPEJDC-UONOGXRCSA-N
XLogP2.99
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-benzyl-N-[(3S,5R)-5-tert-butyl-2-oxooxolan-3-yl]carbamate?
The IUPAC name of methyl N-benzyl-N-[(3S,5R)-5-tert-butyl-2-oxooxolan-3-yl]carbamate (CID 95988525) is methyl N-benzyl-N-[(3S,5R)-5-tert-butyl-2-oxooxolan-3-yl]carbamate.
What is the SMILES notation for methyl N-benzyl-N-[(3S,5R)-5-tert-butyl-2-oxooxolan-3-yl]carbamate?
The canonical SMILES for methyl N-benzyl-N-[(3S,5R)-5-tert-butyl-2-oxooxolan-3-yl]carbamate is COC(=O)N(Cc1ccccc1)[C@H]1C[C@H](C(C)(C)C)OC1=O.
What is the InChIKey of methyl N-benzyl-N-[(3S,5R)-5-tert-butyl-2-oxooxolan-3-yl]carbamate?
The InChIKey is FWYGHYKMEPEJDC-UONOGXRCSA-N. The full InChI is InChI=1S/C17H23NO4/c1-17(2,3)14-10-13(15(19)22-14)18(16(20)21-4)11-12-8-6-5-7-9-12/h5-9,13-14H,10-11H2,1-4H3/t13-,14+/m0/s1.
What are the key properties of methyl N-benzyl-N-[(3S,5R)-5-tert-butyl-2-oxooxolan-3-yl]carbamate?
methyl N-benzyl-N-[(3S,5R)-5-tert-butyl-2-oxooxolan-3-yl]carbamate has a molecular weight of 305.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-benzyl-N-[(3S,5R)-5-tert-butyl-2-oxooxolan-3-yl]carbamate is sourced from PubChem (CID 95988525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).