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

C18H24N2O4 — CID 656205

IUPACethyl 4-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2occc2n1CC(=O)NC1CCC(C)CC1
InChIInChI=1S/C18H24N2O4/c1-3-23-18(22)15-10-16-14(8-9-24-16)20(15)11-17(21)19-13-6-4-12(2)5-7-13/h8-10,12-13H,3-7,11H2,1-2H3,(H,19,21)
InChIKeyFGOUGZABDUNOBD-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.11
Rot. Bonds5

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

ethyl 4-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 656205) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is ethyl 4-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
PubChem CID656205
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Nameethyl 4-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2occc2n1CC(=O)NC1CCC(C)CC1
InChIInChI=1S/C18H24N2O4/c1-3-23-18(22)15-10-16-14(8-9-24-16)20(15)11-17(21)19-13-6-4-12(2)5-7-13/h8-10,12-13H,3-7,11H2,1-2H3,(H,19,21)
InChIKeyFGOUGZABDUNOBD-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 4-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate (CID 656205) is ethyl 4-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 4-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 4-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2occc2n1CC(=O)NC1CCC(C)CC1.
What is the InChIKey of ethyl 4-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is FGOUGZABDUNOBD-UHFFFAOYSA-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)19-13-6-4-12(2)5-7-13/h8-10,12-13H,3-7,11H2,1-2H3,(H,19,21).
What are the key properties of ethyl 4-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
ethyl 4-[2-[(4-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-[(4-methylcyclohexyl)amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 656205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).