ethyl 2-methyl-4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate

C20H22N2O4 — CID 1438768

IUPACethyl 2-methyl-4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2oc(C)cc2n1CC(=O)NCCc1ccccc1
InChIInChI=1S/C20H22N2O4/c1-3-25-20(24)17-12-18-16(11-14(2)26-18)22(17)13-19(23)21-10-9-15-7-5-4-6-8-15/h4-8,11-12H,3,9-10,13H2,1-2H3,(H,21,23)
InChIKeyMXXVKSHUDPSROX-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.08
Rot. Bonds7

About ethyl 2-methyl-4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate

ethyl 2-methyl-4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 1438768) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is ethyl 2-methyl-4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate
PubChem CID1438768
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Nameethyl 2-methyl-4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2oc(C)cc2n1CC(=O)NCCc1ccccc1
InChIInChI=1S/C20H22N2O4/c1-3-25-20(24)17-12-18-16(11-14(2)26-18)22(17)13-19(23)21-10-9-15-7-5-4-6-8-15/h4-8,11-12H,3,9-10,13H2,1-2H3,(H,21,23)
InChIKeyMXXVKSHUDPSROX-UHFFFAOYSA-N
XLogP3.08
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-methyl-4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate with MolForge

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Related Compounds

ethyl 4-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 3229403
methyl 4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 20883388
methyl 4-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 20883449
ethyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 1438767
ethyl 2-methyl-4-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 1438764
ethyl 4-[2-(2-methoxyethylamino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 3229399
ethyl 4-[[2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetyl]amino]benzoate
CID 22430059
3-[2-oxo-2-(2-phenylethylamino)ethyl]triazole-4-carboxylic acid
CID 82202621
N-[2-(4-methoxyphenyl)ethyl]-2-(2-methylindol-1-yl)acetamide
CID 26586028
2-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110688801
ethyl 2-[[3-oxo-3-(2-phenylethylamino)propyl]amino]benzoate
CID 109024225
methyl 3-oxo-3-(2-phenylethylamino)propanoate
CID 15006667

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 2-methyl-4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate (CID 1438768) is ethyl 2-methyl-4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 2-methyl-4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 2-methyl-4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2oc(C)cc2n1CC(=O)NCCc1ccccc1.
What is the InChIKey of ethyl 2-methyl-4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is MXXVKSHUDPSROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-3-25-20(24)17-12-18-16(11-14(2)26-18)22(17)13-19(23)21-10-9-15-7-5-4-6-8-15/h4-8,11-12H,3,9-10,13H2,1-2H3,(H,21,23).
What are the key properties of ethyl 2-methyl-4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate?
ethyl 2-methyl-4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 354.41 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 1438768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).