methyl 3-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate

C26H31N3O7 — CID 55579814

IUPACmethyl 3-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate
SMILESCOC(=O)c1ccc(N2CCCC2)c(NC(=O)C2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)c1
InChIInChI=1S/C26H31N3O7/c1-33-21-13-18(14-22(34-2)24(21)35-3)29-15-17(12-23(29)30)25(31)27-19-11-16(26(32)36-4)7-8-20(19)28-9-5-6-10-28/h7-8,11,13-14,17H,5-6,9-10,12,15H2,1-4H3,(H,27,31)
InChIKeySGDPMUMGOIKVNW-UHFFFAOYSA-N
MW497.55 g/mol
LogP3.09
Rot. Bonds8

About methyl 3-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate

methyl 3-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate (PubChem CID 55579814) has the molecular formula C26H31N3O7 and a molecular weight of 497.55 g/mol. Its IUPAC name is methyl 3-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate
PubChem CID55579814
Molecular FormulaC26H31N3O7
Molecular Weight497.55 g/mol
Exact Mass497.22
IUPAC Namemethyl 3-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate
SMILESCOC(=O)c1ccc(N2CCCC2)c(NC(=O)C2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)c1
InChIInChI=1S/C26H31N3O7/c1-33-21-13-18(14-22(34-2)24(21)35-3)29-15-17(12-23(29)30)25(31)27-19-11-16(26(32)36-4)7-8-20(19)28-9-5-6-10-28/h7-8,11,13-14,17H,5-6,9-10,12,15H2,1-4H3,(H,27,31)
InChIKeySGDPMUMGOIKVNW-UHFFFAOYSA-N
XLogP3.09
TPSA106.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.55
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 3-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate with MolForge

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Related Compounds

(3S)-5-oxo-N-(2-piperidin-1-ylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 39299821
methyl 3-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate
CID 55514303
methyl 3-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 46586528
methyl 4-chloro-3-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 42949120
N-(2,5-difluorophenyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55576754
methyl 4-[4-[(2,4-dimethoxyphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189484
N-[2-(methoxymethyl)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55780336
(3S)-5-oxo-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 40634799
dimethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate
CID 6493190
methyl 3-[4-[(2,5-dimethoxyphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189351
1-(4-methoxyphenyl)-5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 6484633
N-ethyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 43057493

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate?
The IUPAC name of methyl 3-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate (CID 55579814) is methyl 3-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate.
What is the SMILES notation for methyl 3-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate?
The canonical SMILES for methyl 3-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate is COC(=O)c1ccc(N2CCCC2)c(NC(=O)C2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)c1.
What is the InChIKey of methyl 3-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate?
The InChIKey is SGDPMUMGOIKVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O7/c1-33-21-13-18(14-22(34-2)24(21)35-3)29-15-17(12-23(29)30)25(31)27-19-11-16(26(32)36-4)7-8-20(19)28-9-5-6-10-28/h7-8,11,13-14,17H,5-6,9-10,12,15H2,1-4H3,(H,27,31).
What are the key properties of methyl 3-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate?
methyl 3-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate has a molecular weight of 497.55 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate is sourced from PubChem (CID 55579814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).