ethyl 4-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate

C18H24N2O4 — CID 1438701

IUPACethyl 4-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2occc2n1CC(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C18H24N2O4/c1-3-23-18(22)15-10-16-14(8-9-24-16)20(15)11-17(21)19-13-7-5-4-6-12(13)2/h8-10,12-13H,3-7,11H2,1-2H3,(H,19,21)/t12-,13+/m0/s1
InChIKeyVTSHTAXJFFHCML-QWHCGFSZSA-N
MW332.40 g/mol
LogP3.11
Rot. Bonds5

About ethyl 4-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate

ethyl 4-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 1438701) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is ethyl 4-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
PubChem CID1438701
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Nameethyl 4-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2occc2n1CC(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C18H24N2O4/c1-3-23-18(22)15-10-16-14(8-9-24-16)20(15)11-17(21)19-13-7-5-4-6-12(13)2/h8-10,12-13H,3-7,11H2,1-2H3,(H,19,21)/t12-,13+/m0/s1
InChIKeyVTSHTAXJFFHCML-QWHCGFSZSA-N
XLogP3.11
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate with MolForge

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Related Compounds

ethyl 4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 1438707
N-(2-methylcyclohexyl)-2-(12-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)acetamide
CID 20893453
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(2-methylcyclohexyl)acetamide
CID 108794994
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7030511
N-(2-methylcyclohexyl)-2-(2-methylindol-1-yl)acetamide
CID 5086759
N-[(1S,2R)-2-methylcyclohexyl]-2-(2-methylindol-1-yl)acetamide
CID 40655877
ethyl 4-[(2-amino-3-hydroxypropanoyl)oxymethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 50924461
ethyl 4-[4-(cyclobutylmethyl)furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate
CID 3630000
ethyl 6-methyl-3-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8652028
N-[(1S,2R)-2-methylcyclohexyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 9427764
methyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 20883211
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8731980

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 4-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate (CID 1438701) is ethyl 4-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 4-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 4-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2occc2n1CC(=O)N[C@@H]1CCCC[C@@H]1C.
What is the InChIKey of ethyl 4-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is VTSHTAXJFFHCML-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-3-23-18(22)15-10-16-14(8-9-24-16)20(15)11-17(21)19-13-7-5-4-6-12(13)2/h8-10,12-13H,3-7,11H2,1-2H3,(H,19,21)/t12-,13+/m0/s1.
What are the key properties of ethyl 4-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
ethyl 4-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 1438701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).