methyl 2-methyl-4-[2-(N-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate

C18H18N2O4 — CID 3243502

IUPACmethyl 2-methyl-4-[2-(N-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2oc(C)cc2n1CC(=O)N(C)c1ccccc1
InChIInChI=1S/C18H18N2O4/c1-12-9-14-16(24-12)10-15(18(22)23-3)20(14)11-17(21)19(2)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3
InChIKeyFHSRRLLVFIMGGT-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.99
Rot. Bonds4

About methyl 2-methyl-4-[2-(N-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate

methyl 2-methyl-4-[2-(N-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 3243502) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is methyl 2-methyl-4-[2-(N-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4-[2-(N-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
PubChem CID3243502
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Namemethyl 2-methyl-4-[2-(N-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2oc(C)cc2n1CC(=O)N(C)c1ccccc1
InChIInChI=1S/C18H18N2O4/c1-12-9-14-16(24-12)10-15(18(22)23-3)20(14)11-17(21)19(2)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3
InChIKeyFHSRRLLVFIMGGT-UHFFFAOYSA-N
XLogP2.99
TPSA64.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl trans-4-(4-(2-(ethyl(m-tolyl)amino)-2-oxoethyl)-4H-furo[3,2-b]pyrrole-5carboxamido)cyclohexane-1-carboxylate (31)
CID 124155030
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-Cyclohexyloxycarbonylmethyl-2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 652843
4-Isopropyl-2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid [(thiophen-2-ylmethyl)-carbamoyl]-methyl ester
CID 653115
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-[2-(N-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 2-methyl-4-[2-(N-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate (CID 3243502) is methyl 2-methyl-4-[2-(N-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 2-methyl-4-[2-(N-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 2-methyl-4-[2-(N-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate is COC(=O)c1cc2oc(C)cc2n1CC(=O)N(C)c1ccccc1.
What is the InChIKey of methyl 2-methyl-4-[2-(N-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is FHSRRLLVFIMGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-12-9-14-16(24-12)10-15(18(22)23-3)20(14)11-17(21)19(2)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3.
What are the key properties of methyl 2-methyl-4-[2-(N-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
methyl 2-methyl-4-[2-(N-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 326.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-[2-(N-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 3243502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).