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

C19H26N2O4 — CID 1438764

IUPACethyl 2-methyl-4-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2oc(C)cc2n1CC(=O)NC1CCC(C)CC1
InChIInChI=1S/C19H26N2O4/c1-4-24-19(23)16-10-17-15(9-13(3)25-17)21(16)11-18(22)20-14-7-5-12(2)6-8-14/h9-10,12,14H,4-8,11H2,1-3H3,(H,20,22)
InChIKeyDTIDBJSBZIJEOE-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.41
Rot. Bonds5

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

ethyl 2-methyl-4-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 1438764) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is ethyl 2-methyl-4-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-4-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
PubChem CID1438764
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Nameethyl 2-methyl-4-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2oc(C)cc2n1CC(=O)NC1CCC(C)CC1
InChIInChI=1S/C19H26N2O4/c1-4-24-19(23)16-10-17-15(9-13(3)25-17)21(16)11-18(22)20-14-7-5-12(2)6-8-14/h9-10,12,14H,4-8,11H2,1-3H3,(H,20,22)
InChIKeyDTIDBJSBZIJEOE-UHFFFAOYSA-N
XLogP3.41
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 2-methyl-4-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate (CID 1438764) is ethyl 2-methyl-4-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 2-methyl-4-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 2-methyl-4-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2oc(C)cc2n1CC(=O)NC1CCC(C)CC1.
What is the InChIKey of ethyl 2-methyl-4-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is DTIDBJSBZIJEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-4-24-19(23)16-10-17-15(9-13(3)25-17)21(16)11-18(22)20-14-7-5-12(2)6-8-14/h9-10,12,14H,4-8,11H2,1-3H3,(H,20,22).
What are the key properties of ethyl 2-methyl-4-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
ethyl 2-methyl-4-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 346.43 g/mol, XLogP of 3.41, 5 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-[(4-methylcyclohexyl)amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 1438764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).