5-oxo-1-(3,4,5-trimethoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide

C25H32N2O8 — CID 55709359

IUPAC5-oxo-1-(3,4,5-trimethoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCOc1cc(C(C)NC(=O)C2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)cc(OC)c1OC
InChIInChI=1S/C25H32N2O8/c1-14(15-8-18(30-2)23(34-6)19(9-15)31-3)26-25(29)16-10-22(28)27(13-16)17-11-20(32-4)24(35-7)21(12-17)33-5/h8-9,11-12,14,16H,10,13H2,1-7H3,(H,26,29)
InChIKeyUUBDNUXZKJORRM-UHFFFAOYSA-N
MW488.54 g/mol
LogP2.97
Rot. Bonds10

About 5-oxo-1-(3,4,5-trimethoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide

5-oxo-1-(3,4,5-trimethoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 55709359) has the molecular formula C25H32N2O8 and a molecular weight of 488.54 g/mol. Its IUPAC name is 5-oxo-1-(3,4,5-trimethoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(3,4,5-trimethoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
PubChem CID55709359
Molecular FormulaC25H32N2O8
Molecular Weight488.54 g/mol
Exact Mass488.22
IUPAC Name5-oxo-1-(3,4,5-trimethoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCOc1cc(C(C)NC(=O)C2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)cc(OC)c1OC
InChIInChI=1S/C25H32N2O8/c1-14(15-8-18(30-2)23(34-6)19(9-15)31-3)26-25(29)16-10-22(28)27(13-16)17-11-20(32-4)24(35-7)21(12-17)33-5/h8-9,11-12,14,16H,10,13H2,1-7H3,(H,26,29)
InChIKeyUUBDNUXZKJORRM-UHFFFAOYSA-N
XLogP2.97
TPSA104.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119348548
(3R)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 124679906
N-(3-methylbutyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55570729
N-[2-(methylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120826862
N-ethyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 43057493
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55585437
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46921272
N-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120650496
N-(1-amino-2,3-dimethylbutan-2-yl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 119608369
N-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 120650497
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108788294
methyl 2-methyl-2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoate
CID 55609562

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(3,4,5-trimethoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(3,4,5-trimethoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide (CID 55709359) is 5-oxo-1-(3,4,5-trimethoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(3,4,5-trimethoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(3,4,5-trimethoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide is COc1cc(C(C)NC(=O)C2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)cc(OC)c1OC.
What is the InChIKey of 5-oxo-1-(3,4,5-trimethoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is UUBDNUXZKJORRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O8/c1-14(15-8-18(30-2)23(34-6)19(9-15)31-3)26-25(29)16-10-22(28)27(13-16)17-11-20(32-4)24(35-7)21(12-17)33-5/h8-9,11-12,14,16H,10,13H2,1-7H3,(H,26,29).
What are the key properties of 5-oxo-1-(3,4,5-trimethoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide?
5-oxo-1-(3,4,5-trimethoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 488.54 g/mol, XLogP of 2.97, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(3,4,5-trimethoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55709359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).