ethyl 4-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate

C16H20N2O6 — CID 3229403

IUPACethyl 4-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)CNC(=O)Cn1c(C(=O)OCC)cc2oc(C)cc21
InChIInChI=1S/C16H20N2O6/c1-4-22-15(20)8-17-14(19)9-18-11-6-10(3)24-13(11)7-12(18)16(21)23-5-2/h6-7H,4-5,8-9H2,1-3H3,(H,17,19)
InChIKeyBGKTVCBBKYQXNE-UHFFFAOYSA-N
MW336.34 g/mol
LogP1.40
Rot. Bonds7

About ethyl 4-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate

ethyl 4-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate (PubChem CID 3229403) has the molecular formula C16H20N2O6 and a molecular weight of 336.34 g/mol. Its IUPAC name is ethyl 4-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
PubChem CID3229403
Molecular FormulaC16H20N2O6
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Nameethyl 4-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)CNC(=O)Cn1c(C(=O)OCC)cc2oc(C)cc21
InChIInChI=1S/C16H20N2O6/c1-4-22-15(20)8-17-14(19)9-18-11-6-10(3)24-13(11)7-12(18)16(21)23-5-2/h6-7H,4-5,8-9H2,1-3H3,(H,17,19)
InChIKeyBGKTVCBBKYQXNE-UHFFFAOYSA-N
XLogP1.40
TPSA99.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate with MolForge

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Related Compounds

ethyl 2-methyl-4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 1438768
ethyl 2-methyl-4-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 1438764
ethyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 1438767
ethyl 4-[2-(2-methoxyethylamino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 3229399
ethyl 4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 6487708
methyl 4-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 20883449
ethyl 4-ethyl-2-(4-methoxyphenyl)furo[3,2-b]pyrrole-5-carboxylate
CID 58814464
ethyl 4-[2-(diethylamino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 1438687
ethyl 4-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 1438701
2-methyl-N-propyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 42791228
ethyl 2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]acetate
CID 647473
ethyl 4-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 1438726

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 4-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate (CID 3229403) is ethyl 4-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 4-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 4-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate is CCOC(=O)CNC(=O)Cn1c(C(=O)OCC)cc2oc(C)cc21.
What is the InChIKey of ethyl 4-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate?
The InChIKey is BGKTVCBBKYQXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O6/c1-4-22-15(20)8-17-14(19)9-18-11-6-10(3)24-13(11)7-12(18)16(21)23-5-2/h6-7H,4-5,8-9H2,1-3H3,(H,17,19).
What are the key properties of ethyl 4-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate?
ethyl 4-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate has a molecular weight of 336.34 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 3229403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).