ethyl 2-(1-benzofuran-5-ylmethylcarbamoylamino)acetate

C14H16N2O4 — CID 67258307

IUPACethyl 2-(1-benzofuran-5-ylmethylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)NCc1ccc2occc2c1
InChIInChI=1S/C14H16N2O4/c1-2-19-13(17)9-16-14(18)15-8-10-3-4-12-11(7-10)5-6-20-12/h3-7H,2,8-9H2,1H3,(H2,15,16,18)
InChIKeyTZBRVVGLPVLTFJ-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.80
Rot. Bonds5

About ethyl 2-(1-benzofuran-5-ylmethylcarbamoylamino)acetate

ethyl 2-(1-benzofuran-5-ylmethylcarbamoylamino)acetate (PubChem CID 67258307) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is ethyl 2-(1-benzofuran-5-ylmethylcarbamoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(1-benzofuran-5-ylmethylcarbamoylamino)acetate
PubChem CID67258307
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Nameethyl 2-(1-benzofuran-5-ylmethylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)NCc1ccc2occc2c1
InChIInChI=1S/C14H16N2O4/c1-2-19-13(17)9-16-14(18)15-8-10-3-4-12-11(7-10)5-6-20-12/h3-7H,2,8-9H2,1H3,(H2,15,16,18)
InChIKeyTZBRVVGLPVLTFJ-UHFFFAOYSA-N
XLogP1.80
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[[(2-ethoxy-2-oxoethyl)carbamoylamino]methyl]benzoate
CID 67258110
ethyl 2-(1,2-oxazol-3-ylmethylcarbamoylamino)acetate
CID 79493406
ethyl 2-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]acetate
CID 53090008
methyl 2-amino-3-(1-benzofuran-5-yl)propanoate
CID 170883536
ethyl 2-[[3-(3-methyl-2-pyridinyl)phenyl]methylcarbamoylamino]acetate
CID 163927387
ethyl 2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]acetate
CID 55057245
1-benzofuran-5-ylmethanamine;2-oxobutanoyl chloride
CID 87888033
ethyl 2-[(3-methylthiophen-2-yl)methylcarbamoylamino]acetate
CID 112730433
ethyl 2-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]acetate
CID 53099745
ethyl 2-[(2-fluorophenyl)methylcarbamoylamino]acetate
CID 17174428
1,7-bis(1-benzofuran-5-yl)heptane-3,5-dione
CID 58234278
ethyl 3-[(3-fluorophenyl)methylcarbamoylamino]propanoate
CID 108898601

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-benzofuran-5-ylmethylcarbamoylamino)acetate?
The IUPAC name of ethyl 2-(1-benzofuran-5-ylmethylcarbamoylamino)acetate (CID 67258307) is ethyl 2-(1-benzofuran-5-ylmethylcarbamoylamino)acetate.
What is the SMILES notation for ethyl 2-(1-benzofuran-5-ylmethylcarbamoylamino)acetate?
The canonical SMILES for ethyl 2-(1-benzofuran-5-ylmethylcarbamoylamino)acetate is CCOC(=O)CNC(=O)NCc1ccc2occc2c1.
What is the InChIKey of ethyl 2-(1-benzofuran-5-ylmethylcarbamoylamino)acetate?
The InChIKey is TZBRVVGLPVLTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-2-19-13(17)9-16-14(18)15-8-10-3-4-12-11(7-10)5-6-20-12/h3-7H,2,8-9H2,1H3,(H2,15,16,18).
What are the key properties of ethyl 2-(1-benzofuran-5-ylmethylcarbamoylamino)acetate?
ethyl 2-(1-benzofuran-5-ylmethylcarbamoylamino)acetate has a molecular weight of 276.29 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-benzofuran-5-ylmethylcarbamoylamino)acetate is sourced from PubChem (CID 67258307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).