1,3-dioxan-5-yl N-benzyl-N-methylcarbamate

C13H17NO4 — CID 54357230

IUPAC1,3-dioxan-5-yl N-benzyl-N-methylcarbamate
SMILESCN(Cc1ccccc1)C(=O)OC1COCOC1
InChIInChI=1S/C13H17NO4/c1-14(7-11-5-3-2-4-6-11)13(15)18-12-8-16-10-17-9-12/h2-6,12H,7-10H2,1H3
InChIKeyUJYMKRYXXFKARV-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.63
Rot. Bonds3

About 1,3-dioxan-5-yl N-benzyl-N-methylcarbamate

1,3-dioxan-5-yl N-benzyl-N-methylcarbamate (PubChem CID 54357230) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 1,3-dioxan-5-yl N-benzyl-N-methylcarbamate.

Molecular Properties

Compound Name1,3-dioxan-5-yl N-benzyl-N-methylcarbamate
PubChem CID54357230
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name1,3-dioxan-5-yl N-benzyl-N-methylcarbamate
SMILESCN(Cc1ccccc1)C(=O)OC1COCOC1
InChIInChI=1S/C13H17NO4/c1-14(7-11-5-3-2-4-6-11)13(15)18-12-8-16-10-17-9-12/h2-6,12H,7-10H2,1H3
InChIKeyUJYMKRYXXFKARV-UHFFFAOYSA-N
XLogP1.63
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-1-[(1R,6R,8R)-6-methyl-7,9-dioxabicyclo[4.2.1]nonan-8-yl]ethyl] N-benzyl-N-methylcarbamate
CID 42628595
(1-benzylpiperidin-4-yl) N-ethyl-N-methylcarbamate
CID 162675897
Ethyl dibenzylcarbamate
CID 234958
Ethyl benzyl(methyl)carbamate
CID 248126
Methylbenzylcarbamic acid tert-butyl ester
CID 10922066
ethyl 6-phenyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 14846886
oxan-4-yl N-[(4-fluorophenyl)methyl]-N-methylcarbamate
CID 166879866
2-hydroxyethyl N-benzyl-N-methylcarbamate
CID 232801
ethyl N-benzyl-N-(2-methylpropyl)carbamate
CID 11770433
2-Methylpropyl benzyl(methyl)carbamate
CID 21791558
2-methylpropyl N-benzyl-N-ethylcarbamate
CID 91045083
propyl N-benzyl-N-hexylcarbamate
CID 140974004

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxan-5-yl N-benzyl-N-methylcarbamate?
The IUPAC name of 1,3-dioxan-5-yl N-benzyl-N-methylcarbamate (CID 54357230) is 1,3-dioxan-5-yl N-benzyl-N-methylcarbamate.
What is the SMILES notation for 1,3-dioxan-5-yl N-benzyl-N-methylcarbamate?
The canonical SMILES for 1,3-dioxan-5-yl N-benzyl-N-methylcarbamate is CN(Cc1ccccc1)C(=O)OC1COCOC1.
What is the InChIKey of 1,3-dioxan-5-yl N-benzyl-N-methylcarbamate?
The InChIKey is UJYMKRYXXFKARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-14(7-11-5-3-2-4-6-11)13(15)18-12-8-16-10-17-9-12/h2-6,12H,7-10H2,1H3.
What are the key properties of 1,3-dioxan-5-yl N-benzyl-N-methylcarbamate?
1,3-dioxan-5-yl N-benzyl-N-methylcarbamate has a molecular weight of 251.28 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxan-5-yl N-benzyl-N-methylcarbamate is sourced from PubChem (CID 54357230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).