furan-3-ylmethyl 3-(methylcarbamoyl)benzoate

C14H13NO4 — CID 75375019

IUPACfuran-3-ylmethyl 3-(methylcarbamoyl)benzoate
SMILESCNC(=O)c1cccc(C(=O)OCc2ccoc2)c1
InChIInChI=1S/C14H13NO4/c1-15-13(16)11-3-2-4-12(7-11)14(17)19-9-10-5-6-18-8-10/h2-8H,9H2,1H3,(H,15,16)
InChIKeyRGGMPAHTKDGCGQ-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.00
Rot. Bonds4

About furan-3-ylmethyl 3-(methylcarbamoyl)benzoate

furan-3-ylmethyl 3-(methylcarbamoyl)benzoate (PubChem CID 75375019) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is furan-3-ylmethyl 3-(methylcarbamoyl)benzoate.

Molecular Properties

Compound Namefuran-3-ylmethyl 3-(methylcarbamoyl)benzoate
PubChem CID75375019
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Namefuran-3-ylmethyl 3-(methylcarbamoyl)benzoate
SMILESCNC(=O)c1cccc(C(=O)OCc2ccoc2)c1
InChIInChI=1S/C14H13NO4/c1-15-13(16)11-3-2-4-12(7-11)14(17)19-9-10-5-6-18-8-10/h2-8H,9H2,1H3,(H,15,16)
InChIKeyRGGMPAHTKDGCGQ-UHFFFAOYSA-N
XLogP2.00
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

pyridin-3-ylmethyl 3-(methylcarbamoyl)benzoate
CID 75482196
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] furan-3-carboxylate
CID 18102829
(5-tert-butyl-1,3-oxazol-2-yl)methyl 3-(methylcarbamoyl)benzoate
CID 71985728
but-3-ynyl 3-(methylcarbamoyl)benzoate
CID 71988249
3-ethyl-N-methylbenzamide
CID 59115297
tert-butyl 3-(methylcarbamoyl)benzoate
CID 138647614
furan-3-ylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 47348563
ethyl 3-(furan-3-carbonylamino)benzoate
CID 34142354
ethyl 3-(hydrazinecarbonyl)benzoate
CID 131844336
3-(aminomethyl)-N-methylbenzamide;ethane
CID 143416429
ethyl 4-(furan-3-ylmethyl)benzoate
CID 101411930
methyl 3-(hydrazinecarbonyl)benzoate;hydrochloride
CID 122507435

Frequently Asked Questions

What is the IUPAC name of furan-3-ylmethyl 3-(methylcarbamoyl)benzoate?
The IUPAC name of furan-3-ylmethyl 3-(methylcarbamoyl)benzoate (CID 75375019) is furan-3-ylmethyl 3-(methylcarbamoyl)benzoate.
What is the SMILES notation for furan-3-ylmethyl 3-(methylcarbamoyl)benzoate?
The canonical SMILES for furan-3-ylmethyl 3-(methylcarbamoyl)benzoate is CNC(=O)c1cccc(C(=O)OCc2ccoc2)c1.
What is the InChIKey of furan-3-ylmethyl 3-(methylcarbamoyl)benzoate?
The InChIKey is RGGMPAHTKDGCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-15-13(16)11-3-2-4-12(7-11)14(17)19-9-10-5-6-18-8-10/h2-8H,9H2,1H3,(H,15,16).
What are the key properties of furan-3-ylmethyl 3-(methylcarbamoyl)benzoate?
furan-3-ylmethyl 3-(methylcarbamoyl)benzoate has a molecular weight of 259.26 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-ylmethyl 3-(methylcarbamoyl)benzoate is sourced from PubChem (CID 75375019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).