ethyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetate

C13H20N2O4 — CID 62013143

IUPACethyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetate
SMILESCCOC(=O)CN(C)CC(=O)NC(C)c1ccco1
InChIInChI=1S/C13H20N2O4/c1-4-18-13(17)9-15(3)8-12(16)14-10(2)11-6-5-7-19-11/h5-7,10H,4,8-9H2,1-3H3,(H,14,16)
InChIKeyHKNQVFJXLGDJBM-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.95
Rot. Bonds7

About ethyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetate

ethyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetate (PubChem CID 62013143) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is ethyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetate
PubChem CID62013143
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Nameethyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetate
SMILESCCOC(=O)CN(C)CC(=O)NC(C)c1ccco1
InChIInChI=1S/C13H20N2O4/c1-4-18-13(17)9-15(3)8-12(16)14-10(2)11-6-5-7-19-11/h5-7,10H,4,8-9H2,1-3H3,(H,14,16)
InChIKeyHKNQVFJXLGDJBM-UHFFFAOYSA-N
XLogP0.95
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetic acid
CID 43442423
ethyl N-[(1S)-1-(furan-2-yl)ethyl]carbamate
CID 81401192
ethyl N-[1-(furan-2-yl)ethyl]carbamate
CID 60660951
ethyl 3-[[(1S)-1-(furan-2-yl)ethyl]amino]butanoate
CID 81399972
ethyl 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]acetate
CID 62011616
3-amino-N-[(1R)-1-(furan-2-yl)ethyl]butanamide
CID 81400293
2-(ethylamino)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 81400688
ethyl 4-[1-(furan-2-yl)ethylamino]-3-hydroxybutanoate
CID 103238482
ethyl 2-[1-(furan-2-yl)ethylamino]propanoate
CID 61498285
N-[1-(furan-2-yl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614141
N-[1-(furan-2-yl)ethyl]-2-[methyl-[4-(methylamino)cyclohexyl]amino]acetamide
CID 79118481
2-[azetidin-3-yl(propyl)amino]-N-[1-(furan-2-yl)ethyl]acetamide
CID 66216723

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetate?
The IUPAC name of ethyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetate (CID 62013143) is ethyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetate?
The canonical SMILES for ethyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetate is CCOC(=O)CN(C)CC(=O)NC(C)c1ccco1.
What is the InChIKey of ethyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetate?
The InChIKey is HKNQVFJXLGDJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-4-18-13(17)9-15(3)8-12(16)14-10(2)11-6-5-7-19-11/h5-7,10H,4,8-9H2,1-3H3,(H,14,16).
What are the key properties of ethyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetate?
ethyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetate has a molecular weight of 268.31 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetate is sourced from PubChem (CID 62013143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).