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

C22H26N2O6 — CID 24624650

IUPAC1-(2-methoxyphenyl)-5-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1CC(C(=O)NCc2cc(OC)c(OC)c(OC)c2)CC1=O
InChIInChI=1S/C22H26N2O6/c1-27-17-8-6-5-7-16(17)24-13-15(11-20(24)25)22(26)23-12-14-9-18(28-2)21(30-4)19(10-14)29-3/h5-10,15H,11-13H2,1-4H3,(H,23,26)
InChIKeyJGBRCJZWAYNLQC-UHFFFAOYSA-N
MW414.46 g/mol
LogP2.39
Rot. Bonds8

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

1-(2-methoxyphenyl)-5-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 24624650) has the molecular formula C22H26N2O6 and a molecular weight of 414.46 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-5-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-5-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID24624650
Molecular FormulaC22H26N2O6
Molecular Weight414.46 g/mol
Exact Mass414.18
IUPAC Name1-(2-methoxyphenyl)-5-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1CC(C(=O)NCc2cc(OC)c(OC)c(OC)c2)CC1=O
InChIInChI=1S/C22H26N2O6/c1-27-17-8-6-5-7-16(17)24-13-15(11-20(24)25)22(26)23-12-14-9-18(28-2)21(30-4)19(10-14)29-3/h5-10,15H,11-13H2,1-4H3,(H,23,26)
InChIKeyJGBRCJZWAYNLQC-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46585682
N-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51147467
1-(2-methoxyphenyl)-5-oxo-N-(quinolin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 91787400
(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrrolidine-3-carboxamide
CID 7626487
N-[(3,4-dimethoxyphenyl)methyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113186565
N-[(2-methylphenyl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 113190723
(3S)-1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2713254
(3R)-1-(2-methoxy-5-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9455442
N-(furan-3-ylmethyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55702367
N-[2-(4-aminophenyl)ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119549566
(3S)-1-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 124749076
1-(2-bromophenyl)-5-oxo-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 46587264

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-5-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-5-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide (CID 24624650) is 1-(2-methoxyphenyl)-5-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-5-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-5-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide is COc1ccccc1N1CC(C(=O)NCc2cc(OC)c(OC)c(OC)c2)CC1=O.
What is the InChIKey of 1-(2-methoxyphenyl)-5-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is JGBRCJZWAYNLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O6/c1-27-17-8-6-5-7-16(17)24-13-15(11-20(24)25)22(26)23-12-14-9-18(28-2)21(30-4)19(10-14)29-3/h5-10,15H,11-13H2,1-4H3,(H,23,26).
What are the key properties of 1-(2-methoxyphenyl)-5-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide?
1-(2-methoxyphenyl)-5-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 414.46 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-5-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 24624650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).