ethyl 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]acetate

C13H19N3O5 — CID 62011616

IUPACethyl 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]acetate
SMILESCCOC(=O)CN(C)CC(=O)NC(=O)NCc1ccco1
InChIInChI=1S/C13H19N3O5/c1-3-20-12(18)9-16(2)8-11(17)15-13(19)14-7-10-5-4-6-21-10/h4-6H,3,7-9H2,1-2H3,(H2,14,15,17,19)
InChIKeyAVNYTEMIMDDWAF-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.10
Rot. Bonds7

About ethyl 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]acetate

ethyl 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]acetate (PubChem CID 62011616) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is ethyl 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]acetate
PubChem CID62011616
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Nameethyl 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]acetate
SMILESCCOC(=O)CN(C)CC(=O)NC(=O)NCc1ccco1
InChIInChI=1S/C13H19N3O5/c1-3-20-12(18)9-16(2)8-11(17)15-13(19)14-7-10-5-4-6-21-10/h4-6H,3,7-9H2,1-2H3,(H2,14,15,17,19)
InChIKeyAVNYTEMIMDDWAF-UHFFFAOYSA-N
XLogP0.10
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]acetate with MolForge

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Related Compounds

2-[(4-ethoxyphenyl)methyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 4818761
2-(dipropylamino)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 43061736
2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 62637062
N-(furan-2-ylmethylcarbamoyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60691736
N-(furan-2-ylmethylcarbamoyl)-2-[N-(2-hydroxypropyl)anilino]acetamide
CID 51106343
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 9136719
ethyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetate
CID 62013143
N-(4-acetamidophenyl)-2-[ethyl-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 8779537
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 24686754
N-(furan-2-ylmethyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 9222820
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] furan-2-carboxylate
CID 2631632
4-O-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 9116888

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]acetate?
The IUPAC name of ethyl 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]acetate (CID 62011616) is ethyl 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]acetate?
The canonical SMILES for ethyl 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]acetate is CCOC(=O)CN(C)CC(=O)NC(=O)NCc1ccco1.
What is the InChIKey of ethyl 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]acetate?
The InChIKey is AVNYTEMIMDDWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-3-20-12(18)9-16(2)8-11(17)15-13(19)14-7-10-5-4-6-21-10/h4-6H,3,7-9H2,1-2H3,(H2,14,15,17,19).
What are the key properties of ethyl 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]acetate?
ethyl 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]acetate has a molecular weight of 297.31 g/mol, XLogP of 0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]acetate is sourced from PubChem (CID 62011616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).