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

C18H23NO5 — CID 652843

IUPACethyl 4-(2-cyclohexyloxy-2-oxoethyl)-2-methylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2oc(C)cc2n1CC(=O)OC1CCCCC1
InChIInChI=1S/C18H23NO5/c1-3-22-18(21)15-10-16-14(9-12(2)23-16)19(15)11-17(20)24-13-7-5-4-6-8-13/h9-10,13H,3-8,11H2,1-2H3
InChIKeyGYHMYUCAYCSVOY-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.60
Rot. Bonds5

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

ethyl 4-(2-cyclohexyloxy-2-oxoethyl)-2-methylfuro[3,2-b]pyrrole-5-carboxylate (PubChem CID 652843) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is ethyl 4-(2-cyclohexyloxy-2-oxoethyl)-2-methylfuro[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-cyclohexyloxy-2-oxoethyl)-2-methylfuro[3,2-b]pyrrole-5-carboxylate
PubChem CID652843
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Nameethyl 4-(2-cyclohexyloxy-2-oxoethyl)-2-methylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2oc(C)cc2n1CC(=O)OC1CCCCC1
InChIInChI=1S/C18H23NO5/c1-3-22-18(21)15-10-16-14(9-12(2)23-16)19(15)11-17(20)24-13-7-5-4-6-8-13/h9-10,13H,3-8,11H2,1-2H3
InChIKeyGYHMYUCAYCSVOY-UHFFFAOYSA-N
XLogP3.60
TPSA70.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 5082263
methyl 4-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 16011014
Methyl 4-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-YL]methyl}-4H-furo[3,2-B]pyrrole-5-carboxylate
CID 16011163
4-[(4-Methyl-cyclohexylcarbamoyl)-methyl]-4H-furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 656205
4-(4-Fluoro-benzyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 1438681
4-(2-Chloro-6-fluoro-benzyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 1438713
2,4-Dimethyl-5-furo[3,2-b]pyrrolecarboxylic acid [3-methyl-1-oxo-1-(2-oxolanylmethylamino)butan-2-yl] ester
CID 3228603
4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-5-furo[3,2-b]pyrrolecarboxylic acid methyl ester
CID 3236476
1-[2-(2-Methoxyanilino)-2-oxoethyl]-2-benzofuro[3,2-b]pyrrolecarboxylic acid methyl ester
CID 3238241
methyl 1-(pyridin-2-ylmethyl)-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
CID 3238867
Methyl 4-[2-(3,5-dimethylanilino)-2-oxoethyl]-2-methyl-4H-furo[3,2-B]pyrrole-5-carboxylate
CID 3239201
Methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 3240031

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-cyclohexyloxy-2-oxoethyl)-2-methylfuro[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 4-(2-cyclohexyloxy-2-oxoethyl)-2-methylfuro[3,2-b]pyrrole-5-carboxylate (CID 652843) is ethyl 4-(2-cyclohexyloxy-2-oxoethyl)-2-methylfuro[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 4-(2-cyclohexyloxy-2-oxoethyl)-2-methylfuro[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 4-(2-cyclohexyloxy-2-oxoethyl)-2-methylfuro[3,2-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2oc(C)cc2n1CC(=O)OC1CCCCC1.
What is the InChIKey of ethyl 4-(2-cyclohexyloxy-2-oxoethyl)-2-methylfuro[3,2-b]pyrrole-5-carboxylate?
The InChIKey is GYHMYUCAYCSVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5/c1-3-22-18(21)15-10-16-14(9-12(2)23-16)19(15)11-17(20)24-13-7-5-4-6-8-13/h9-10,13H,3-8,11H2,1-2H3.
What are the key properties of ethyl 4-(2-cyclohexyloxy-2-oxoethyl)-2-methylfuro[3,2-b]pyrrole-5-carboxylate?
ethyl 4-(2-cyclohexyloxy-2-oxoethyl)-2-methylfuro[3,2-b]pyrrole-5-carboxylate has a molecular weight of 333.38 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-cyclohexyloxy-2-oxoethyl)-2-methylfuro[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 652843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).