(3-oxocyclobutyl) N-benzyl-N-methylcarbamate

C13H15NO3 — CID 176797150

IUPAC(3-oxocyclobutyl) N-benzyl-N-methylcarbamate
SMILESCN(Cc1ccccc1)C(=O)OC1CC(=O)C1
InChIInChI=1S/C13H15NO3/c1-14(9-10-5-3-2-4-6-10)13(16)17-12-7-11(15)8-12/h2-6,12H,7-9H2,1H3
InChIKeyWHXJKQJVTDDOQJ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.99
Rot. Bonds3

About (3-oxocyclobutyl) N-benzyl-N-methylcarbamate

(3-oxocyclobutyl) N-benzyl-N-methylcarbamate (PubChem CID 176797150) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is (3-oxocyclobutyl) N-benzyl-N-methylcarbamate.

Molecular Properties

Compound Name(3-oxocyclobutyl) N-benzyl-N-methylcarbamate
PubChem CID176797150
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name(3-oxocyclobutyl) N-benzyl-N-methylcarbamate
SMILESCN(Cc1ccccc1)C(=O)OC1CC(=O)C1
InChIInChI=1S/C13H15NO3/c1-14(9-10-5-3-2-4-6-10)13(16)17-12-7-11(15)8-12/h2-6,12H,7-9H2,1H3
InChIKeyWHXJKQJVTDDOQJ-UHFFFAOYSA-N
XLogP1.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

fluoro N-benzyl-N-methylcarbamate
CID 144758254
cyclopentyl N-methyl-N-(pyridin-3-ylmethyl)carbamate
CID 112738794
[(4E)-cyclooct-4-en-1-yl] N-methyl-N-[(4-methylphenyl)methyl]carbamate
CID 171623081
2,2,2-trifluoroethyl N-benzyl-N-methylcarbamate
CID 65173330
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
[7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl] N-benzyl-N-methylcarbamate
CID 91347444
N-benzyl-N-methylpiperidine-4-carboxamide
CID 5103038
(7-tert-butyl-5-methoxy-2,3-dihydro-1-benzofuran-2-yl) N-benzyl-N-methylcarbamate
CID 91276770
N-benzyl-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119912897
(1-acetylazetidin-3-yl) N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methylcarbamate
CID 170575967
N-benzyl-N-methyl-6-oxopiperidine-3-carboxamide
CID 74464257
3-[benzyl(methyl)amino]-2,3-dioxopropanoic acid
CID 130891258

Frequently Asked Questions

What is the IUPAC name of (3-oxocyclobutyl) N-benzyl-N-methylcarbamate?
The IUPAC name of (3-oxocyclobutyl) N-benzyl-N-methylcarbamate (CID 176797150) is (3-oxocyclobutyl) N-benzyl-N-methylcarbamate.
What is the SMILES notation for (3-oxocyclobutyl) N-benzyl-N-methylcarbamate?
The canonical SMILES for (3-oxocyclobutyl) N-benzyl-N-methylcarbamate is CN(Cc1ccccc1)C(=O)OC1CC(=O)C1.
What is the InChIKey of (3-oxocyclobutyl) N-benzyl-N-methylcarbamate?
The InChIKey is WHXJKQJVTDDOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-14(9-10-5-3-2-4-6-10)13(16)17-12-7-11(15)8-12/h2-6,12H,7-9H2,1H3.
What are the key properties of (3-oxocyclobutyl) N-benzyl-N-methylcarbamate?
(3-oxocyclobutyl) N-benzyl-N-methylcarbamate has a molecular weight of 233.27 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxocyclobutyl) N-benzyl-N-methylcarbamate is sourced from PubChem (CID 176797150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).