ethyl 3-[[3-(carbamoylamino)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate

C20H18N2O6 — CID 30019126

IUPACethyl 3-[[3-(carbamoylamino)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1COC(=O)c1cccc(NC(N)=O)c1
InChIInChI=1S/C20H18N2O6/c1-2-26-19(24)17-15(14-8-3-4-9-16(14)28-17)11-27-18(23)12-6-5-7-13(10-12)22-20(21)25/h3-10H,2,11H2,1H3,(H3,21,22,25)
InChIKeyLFKYDQWODHVEDU-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.46
Rot. Bonds6

About ethyl 3-[[3-(carbamoylamino)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate

ethyl 3-[[3-(carbamoylamino)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate (PubChem CID 30019126) has the molecular formula C20H18N2O6 and a molecular weight of 382.37 g/mol. Its IUPAC name is ethyl 3-[[3-(carbamoylamino)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[3-(carbamoylamino)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate
PubChem CID30019126
Molecular FormulaC20H18N2O6
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC Nameethyl 3-[[3-(carbamoylamino)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1COC(=O)c1cccc(NC(N)=O)c1
InChIInChI=1S/C20H18N2O6/c1-2-26-19(24)17-15(14-8-3-4-9-16(14)28-17)11-27-18(23)12-6-5-7-13(10-12)22-20(21)25/h3-10H,2,11H2,1H3,(H3,21,22,25)
InChIKeyLFKYDQWODHVEDU-UHFFFAOYSA-N
XLogP3.46
TPSA120.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[(3,5-dimethoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 16560186
ethyl 3-[[4-(hydroxymethyl)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 8535590
ethyl 3-[(4-methoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 16560150
ethyl 3-[(5-methylfuran-2-carbonyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 8531697
ethyl 3-[(5-methylthiophene-2-carbonyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 16560148
ethyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 16560210
(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
CID 8853364
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 34772261
ethyl 3-acetamidobenzoate
CID 700589
ethyl 3-[[2-[(S)-methylsulfinyl]benzoyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 11927023
ethyl 3-[[2-(2-amino-2-oxoethyl)sulfanylbenzoyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 9478350
ethyl 3-[(2-chloro-4-fluorobenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 16560216

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[3-(carbamoylamino)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 3-[[3-(carbamoylamino)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate (CID 30019126) is ethyl 3-[[3-(carbamoylamino)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 3-[[3-(carbamoylamino)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 3-[[3-(carbamoylamino)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2ccccc2c1COC(=O)c1cccc(NC(N)=O)c1.
What is the InChIKey of ethyl 3-[[3-(carbamoylamino)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate?
The InChIKey is LFKYDQWODHVEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O6/c1-2-26-19(24)17-15(14-8-3-4-9-16(14)28-17)11-27-18(23)12-6-5-7-13(10-12)22-20(21)25/h3-10H,2,11H2,1H3,(H3,21,22,25).
What are the key properties of ethyl 3-[[3-(carbamoylamino)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate?
ethyl 3-[[3-(carbamoylamino)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate has a molecular weight of 382.37 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[3-(carbamoylamino)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate is sourced from PubChem (CID 30019126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).