[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate

C21H23N3O6 — CID 9134220

IUPAC[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
SMILESCN(CC(=O)NCc1ccco1)C(=O)COC(=O)c1ccccc1N1CCCC1=O
InChIInChI=1S/C21H23N3O6/c1-23(13-18(25)22-12-15-6-5-11-29-15)20(27)14-30-21(28)16-7-2-3-8-17(16)24-10-4-9-19(24)26/h2-3,5-8,11H,4,9-10,12-14H2,1H3,(H,22,25)
InChIKeyCBFGPIGBGNRCQH-UHFFFAOYSA-N
MW413.43 g/mol
LogP1.34
Rot. Bonds8

About [2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate

[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 9134220) has the molecular formula C21H23N3O6 and a molecular weight of 413.43 g/mol. Its IUPAC name is [2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID9134220
Molecular FormulaC21H23N3O6
Molecular Weight413.43 g/mol
Exact Mass413.16
IUPAC Name[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
SMILESCN(CC(=O)NCc1ccco1)C(=O)COC(=O)c1ccccc1N1CCCC1=O
InChIInChI=1S/C21H23N3O6/c1-23(13-18(25)22-12-15-6-5-11-29-15)20(27)14-30-21(28)16-7-2-3-8-17(16)24-10-4-9-19(24)26/h2-3,5-8,11H,4,9-10,12-14H2,1H3,(H,22,25)
InChIKeyCBFGPIGBGNRCQH-UHFFFAOYSA-N
XLogP1.34
TPSA109.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate with MolForge

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Related Compounds

[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-methylsulfanylbenzoate
CID 8508141
[2-(4-methylanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131156
phenacyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131445
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131293
[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133931
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide
CID 9378702
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-piperidin-1-ium-1-ylacetamide
CID 9253639
[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 42902540
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133179
[2-(furan-2-ylmethylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 7969840
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2084919
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9132983

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of [2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate (CID 9134220) is [2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for [2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for [2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate is CN(CC(=O)NCc1ccco1)C(=O)COC(=O)c1ccccc1N1CCCC1=O.
What is the InChIKey of [2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is CBFGPIGBGNRCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O6/c1-23(13-18(25)22-12-15-6-5-11-29-15)20(27)14-30-21(28)16-7-2-3-8-17(16)24-10-4-9-19(24)26/h2-3,5-8,11H,4,9-10,12-14H2,1H3,(H,22,25).
What are the key properties of [2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate?
[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 413.43 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 9134220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).