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

C20H22N2O4 — CID 20883449

IUPACmethyl 4-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCCN(Cc1ccccc1)C(=O)Cn1c(C(=O)OC)cc2oc(C)cc21
InChIInChI=1S/C20H22N2O4/c1-4-21(12-15-8-6-5-7-9-15)19(23)13-22-16-10-14(2)26-18(16)11-17(22)20(24)25-3/h5-11H,4,12-13H2,1-3H3
InChIKeyYFKLCZGRDZLTBF-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.38
Rot. Bonds6

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

methyl 4-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate (PubChem CID 20883449) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is methyl 4-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
PubChem CID20883449
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Namemethyl 4-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCCN(Cc1ccccc1)C(=O)Cn1c(C(=O)OC)cc2oc(C)cc21
InChIInChI=1S/C20H22N2O4/c1-4-21(12-15-8-6-5-7-9-15)19(23)13-22-16-10-14(2)26-18(16)11-17(22)20(24)25-3/h5-11H,4,12-13H2,1-3H3
InChIKeyYFKLCZGRDZLTBF-UHFFFAOYSA-N
XLogP3.38
TPSA64.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[2-[benzyl(ethyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 20883428
3-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide
CID 50842004
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
ethyl 4-[2-(diethylamino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 1438687
ethyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 1438767
ethyl 2-methyl-4-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 1438764
N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112992909
methyl 3-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate
CID 108999033
N-benzyl-N-ethyl-2-phenylsulfanylacetamide
CID 1122625
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide
CID 48730152
ethyl 3-[2-[benzyl(ethyl)amino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651678
2-(azepan-1-yl)-N-benzyl-N-ethylacetamide
CID 108998993

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 4-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate (CID 20883449) is methyl 4-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 4-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 4-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate is CCN(Cc1ccccc1)C(=O)Cn1c(C(=O)OC)cc2oc(C)cc21.
What is the InChIKey of methyl 4-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate?
The InChIKey is YFKLCZGRDZLTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-4-21(12-15-8-6-5-7-9-15)19(23)13-22-16-10-14(2)26-18(16)11-17(22)20(24)25-3/h5-11H,4,12-13H2,1-3H3.
What are the key properties of methyl 4-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate?
methyl 4-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate has a molecular weight of 354.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 20883449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).