oxolan-3-yl N-benzyl-N-methylcarbamate

C13H17NO3 — CID 54532686

IUPACoxolan-3-yl N-benzyl-N-methylcarbamate
SMILESCN(Cc1ccccc1)C(=O)OC1CCOC1
InChIInChI=1S/C13H17NO3/c1-14(9-11-5-3-2-4-6-11)13(15)17-12-7-8-16-10-12/h2-6,12H,7-10H2,1H3
InChIKeyYXPYPTPMNJALKB-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.04
Rot. Bonds3

About oxolan-3-yl N-benzyl-N-methylcarbamate

oxolan-3-yl N-benzyl-N-methylcarbamate (PubChem CID 54532686) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is oxolan-3-yl N-benzyl-N-methylcarbamate.

Molecular Properties

Compound Nameoxolan-3-yl N-benzyl-N-methylcarbamate
PubChem CID54532686
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Nameoxolan-3-yl N-benzyl-N-methylcarbamate
SMILESCN(Cc1ccccc1)C(=O)OC1CCOC1
InChIInChI=1S/C13H17NO3/c1-14(9-11-5-3-2-4-6-11)13(15)17-12-7-8-16-10-12/h2-6,12H,7-10H2,1H3
InChIKeyYXPYPTPMNJALKB-UHFFFAOYSA-N
XLogP2.04
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Tert-butyl N-benzyl-N-(2-hydroxyethyl)carbamate
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[(1R)-1-[(1R,6R,8R)-6-methyl-7,9-dioxabicyclo[4.2.1]nonan-8-yl]ethyl] N-benzyl-N-methylcarbamate
CID 42628595
3-(Dimethylamino)butyl benzyl(methyl)carbamate
CID 44570008
2-Pyrrolidinone, 5-(1-methylethoxy)-1-(phenylmethyl)-, (+-)-
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ethyl N-benzyl-N-(trifluoromethyl)carbamate
CID 162659460
2-Oxazolidinone, 3-benzyl-5-(2-propynyloxymethyl)-
CID 211831
(R)-N-Boc-2-phenylpyrrolidine
CID 24859471
tert-Butyl benzyl(4-hydroxybutyl)carbamate
CID 22006367
(1-benzylpiperidin-4-yl) N-ethyl-N-methylcarbamate
CID 162675897
Ethyl dibenzylcarbamate
CID 234958
Tert-butyl 2-phenylpyrrolidine-1-carboxylate
CID 3772557

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl N-benzyl-N-methylcarbamate?
The IUPAC name of oxolan-3-yl N-benzyl-N-methylcarbamate (CID 54532686) is oxolan-3-yl N-benzyl-N-methylcarbamate.
What is the SMILES notation for oxolan-3-yl N-benzyl-N-methylcarbamate?
The canonical SMILES for oxolan-3-yl N-benzyl-N-methylcarbamate is CN(Cc1ccccc1)C(=O)OC1CCOC1.
What is the InChIKey of oxolan-3-yl N-benzyl-N-methylcarbamate?
The InChIKey is YXPYPTPMNJALKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-14(9-11-5-3-2-4-6-11)13(15)17-12-7-8-16-10-12/h2-6,12H,7-10H2,1H3.
What are the key properties of oxolan-3-yl N-benzyl-N-methylcarbamate?
oxolan-3-yl N-benzyl-N-methylcarbamate has a molecular weight of 235.28 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl N-benzyl-N-methylcarbamate is sourced from PubChem (CID 54532686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).