(4-methyl-5-oxo-2H-furan-2-yl) N-benzylcarbamate

C13H13NO4 — CID 67449986

IUPAC(4-methyl-5-oxo-2H-furan-2-yl) N-benzylcarbamate
SMILESCC1=CC(OC(=O)NCc2ccccc2)OC1=O
InChIInChI=1S/C13H13NO4/c1-9-7-11(17-12(9)15)18-13(16)14-8-10-5-3-2-4-6-10/h2-7,11H,8H2,1H3,(H,14,16)
InChIKeyYWJOYLOBXREDIB-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.74
Rot. Bonds3

About (4-methyl-5-oxo-2H-furan-2-yl) N-benzylcarbamate

(4-methyl-5-oxo-2H-furan-2-yl) N-benzylcarbamate (PubChem CID 67449986) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is (4-methyl-5-oxo-2H-furan-2-yl) N-benzylcarbamate.

Molecular Properties

Compound Name(4-methyl-5-oxo-2H-furan-2-yl) N-benzylcarbamate
PubChem CID67449986
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name(4-methyl-5-oxo-2H-furan-2-yl) N-benzylcarbamate
SMILESCC1=CC(OC(=O)NCc2ccccc2)OC1=O
InChIInChI=1S/C13H13NO4/c1-9-7-11(17-12(9)15)18-13(16)14-8-10-5-3-2-4-6-10/h2-7,11H,8H2,1H3,(H,14,16)
InChIKeyYWJOYLOBXREDIB-UHFFFAOYSA-N
XLogP1.74
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzene;ethyl N-benzylcarbamate
CID 67715166
[6-(benzylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methylbenzoate
CID 75116761
(4-methylphenyl) N-benzylcarbamate
CID 14292552
[(3S)-2-oxopyrrolidin-3-yl] N-benzylcarbamate
CID 174732822
(2-hydroxycyclohexyl) N-benzylcarbamate
CID 174552580
(4-methyl-5-oxo-2H-furan-2-yl) N-[5-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]pentyl]carbamate
CID 170276997
[2-(methylamino)cyclohexyl] N-benzylcarbamate
CID 107654729
(4-phenylphenyl) N-benzylcarbamate
CID 25174478
(2-aminocyclohexyl) N-benzylcarbamate
CID 107654721
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzylcarbamate
CID 144638928
ethyl N-[(4-phenylphenyl)methyl]carbamate
CID 90935573
ethyl N-(benzylcarbamoyl)carbamate
CID 2748727

Frequently Asked Questions

What is the IUPAC name of (4-methyl-5-oxo-2H-furan-2-yl) N-benzylcarbamate?
The IUPAC name of (4-methyl-5-oxo-2H-furan-2-yl) N-benzylcarbamate (CID 67449986) is (4-methyl-5-oxo-2H-furan-2-yl) N-benzylcarbamate.
What is the SMILES notation for (4-methyl-5-oxo-2H-furan-2-yl) N-benzylcarbamate?
The canonical SMILES for (4-methyl-5-oxo-2H-furan-2-yl) N-benzylcarbamate is CC1=CC(OC(=O)NCc2ccccc2)OC1=O.
What is the InChIKey of (4-methyl-5-oxo-2H-furan-2-yl) N-benzylcarbamate?
The InChIKey is YWJOYLOBXREDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-9-7-11(17-12(9)15)18-13(16)14-8-10-5-3-2-4-6-10/h2-7,11H,8H2,1H3,(H,14,16).
What are the key properties of (4-methyl-5-oxo-2H-furan-2-yl) N-benzylcarbamate?
(4-methyl-5-oxo-2H-furan-2-yl) N-benzylcarbamate has a molecular weight of 247.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-5-oxo-2H-furan-2-yl) N-benzylcarbamate is sourced from PubChem (CID 67449986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).