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

C22H26N2O5 — CID 113190723

IUPACN-[(2-methylphenyl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cc(N2CC(C(=O)NCc3ccccc3C)CC2=O)cc(OC)c1OC
InChIInChI=1S/C22H26N2O5/c1-14-7-5-6-8-15(14)12-23-22(26)16-9-20(25)24(13-16)17-10-18(27-2)21(29-4)19(11-17)28-3/h5-8,10-11,16H,9,12-13H2,1-4H3,(H,23,26)
InChIKeyJAGZZRMGWCIJLQ-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.69
Rot. Bonds7

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

N-[(2-methylphenyl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 113190723) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID113190723
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC NameN-[(2-methylphenyl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cc(N2CC(C(=O)NCc3ccccc3C)CC2=O)cc(OC)c1OC
InChIInChI=1S/C22H26N2O5/c1-14-7-5-6-8-15(14)12-23-22(26)16-9-20(25)24(13-16)17-10-18(27-2)21(29-4)19(11-17)28-3/h5-8,10-11,16H,9,12-13H2,1-4H3,(H,23,26)
InChIKeyJAGZZRMGWCIJLQ-UHFFFAOYSA-N
XLogP2.69
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46585682
N-[2-(2-methoxyphenyl)ethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46587014
(3S)-N-[(2-methylphenyl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40978837
(3S)-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9103777
N-ethyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 43057493
5-oxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55780754
N-(furan-3-ylmethyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55702367
1-(3,4-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55583210
(3R)-1-(3-chloro-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7325501
1-(2-methoxyphenyl)-5-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 24624650
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 47729955
N-[2-(methoxymethyl)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55780336

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (CID 113190723) is N-[(2-methylphenyl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is COc1cc(N2CC(C(=O)NCc3ccccc3C)CC2=O)cc(OC)c1OC.
What is the InChIKey of N-[(2-methylphenyl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is JAGZZRMGWCIJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-14-7-5-6-8-15(14)12-23-22(26)16-9-20(25)24(13-16)17-10-18(27-2)21(29-4)19(11-17)28-3/h5-8,10-11,16H,9,12-13H2,1-4H3,(H,23,26).
What are the key properties of N-[(2-methylphenyl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
N-[(2-methylphenyl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113190723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).