benzyl N-[(3R)-5-oxo-4,4-dipropyloxolan-3-yl]carbamate

C18H25NO4 — CID 6918598

IUPACbenzyl N-[(3R)-5-oxo-4,4-dipropyloxolan-3-yl]carbamate
SMILESCCCC1(CCC)C(=O)OC[C@@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C18H25NO4/c1-3-10-18(11-4-2)15(13-22-16(18)20)19-17(21)23-12-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeyJWFMTWXQOWZODI-HNNXBMFYSA-N
MW319.40 g/mol
LogP3.42
Rot. Bonds7

About benzyl N-[(3R)-5-oxo-4,4-dipropyloxolan-3-yl]carbamate

benzyl N-[(3R)-5-oxo-4,4-dipropyloxolan-3-yl]carbamate (PubChem CID 6918598) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is benzyl N-[(3R)-5-oxo-4,4-dipropyloxolan-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3R)-5-oxo-4,4-dipropyloxolan-3-yl]carbamate
PubChem CID6918598
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Namebenzyl N-[(3R)-5-oxo-4,4-dipropyloxolan-3-yl]carbamate
SMILESCCCC1(CCC)C(=O)OC[C@@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C18H25NO4/c1-3-10-18(11-4-2)15(13-22-16(18)20)19-17(21)23-12-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeyJWFMTWXQOWZODI-HNNXBMFYSA-N
XLogP3.42
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3R)-5-oxo-4,4-dipropyloxolan-3-yl]carbamate?
The IUPAC name of benzyl N-[(3R)-5-oxo-4,4-dipropyloxolan-3-yl]carbamate (CID 6918598) is benzyl N-[(3R)-5-oxo-4,4-dipropyloxolan-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(3R)-5-oxo-4,4-dipropyloxolan-3-yl]carbamate?
The canonical SMILES for benzyl N-[(3R)-5-oxo-4,4-dipropyloxolan-3-yl]carbamate is CCCC1(CCC)C(=O)OC[C@@H]1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(3R)-5-oxo-4,4-dipropyloxolan-3-yl]carbamate?
The InChIKey is JWFMTWXQOWZODI-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-3-10-18(11-4-2)15(13-22-16(18)20)19-17(21)23-12-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,19,21)/t15-/m0/s1.
What are the key properties of benzyl N-[(3R)-5-oxo-4,4-dipropyloxolan-3-yl]carbamate?
benzyl N-[(3R)-5-oxo-4,4-dipropyloxolan-3-yl]carbamate has a molecular weight of 319.40 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3R)-5-oxo-4,4-dipropyloxolan-3-yl]carbamate is sourced from PubChem (CID 6918598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).