N-[2-(methoxymethyl)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

C22H26N2O6 — CID 55780336

IUPACN-[2-(methoxymethyl)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOCc1ccccc1NC(=O)C1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1
InChIInChI=1S/C22H26N2O6/c1-27-13-14-7-5-6-8-17(14)23-22(26)15-9-20(25)24(12-15)16-10-18(28-2)21(30-4)19(11-16)29-3/h5-8,10-11,15H,9,12-13H2,1-4H3,(H,23,26)
InChIKeyOSECVVYYPCAQDP-UHFFFAOYSA-N
MW414.46 g/mol
LogP2.85
Rot. Bonds8

About N-[2-(methoxymethyl)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

N-[2-(methoxymethyl)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 55780336) has the molecular formula C22H26N2O6 and a molecular weight of 414.46 g/mol. Its IUPAC name is N-[2-(methoxymethyl)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(methoxymethyl)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID55780336
Molecular FormulaC22H26N2O6
Molecular Weight414.46 g/mol
Exact Mass414.18
IUPAC NameN-[2-(methoxymethyl)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOCc1ccccc1NC(=O)C1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1
InChIInChI=1S/C22H26N2O6/c1-27-13-14-7-5-6-8-17(14)23-22(26)15-9-20(25)24(12-15)16-10-18(28-2)21(30-4)19(11-16)29-3/h5-8,10-11,15H,9,12-13H2,1-4H3,(H,23,26)
InChIKeyOSECVVYYPCAQDP-UHFFFAOYSA-N
XLogP2.85
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-5-oxo-N-(2-piperidin-1-ylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 39299821
(3S)-5-oxo-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 40634799
N-[2-(2-methoxyphenyl)ethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46587014
N-[(2-methylphenyl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 113190723
N-(2,5-difluorophenyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55576754
(3S)-5-oxo-N-phenylmethoxy-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 38002802
N-benzyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46585682
(3R)-1-(2-ethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004579
(3R)-1-ethyl-N-[2-(methoxymethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94118374
N-ethyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 43057493
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55624339
N-(6-methyl-2-pyridinyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46578122

Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethyl)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(methoxymethyl)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (CID 55780336) is N-[2-(methoxymethyl)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(methoxymethyl)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(methoxymethyl)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is COCc1ccccc1NC(=O)C1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1.
What is the InChIKey of N-[2-(methoxymethyl)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is OSECVVYYPCAQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O6/c1-27-13-14-7-5-6-8-17(14)23-22(26)15-9-20(25)24(12-15)16-10-18(28-2)21(30-4)19(11-16)29-3/h5-8,10-11,15H,9,12-13H2,1-4H3,(H,23,26).
What are the key properties of N-[2-(methoxymethyl)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
N-[2-(methoxymethyl)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 414.46 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethyl)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55780336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).