1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide

C24H28N2O5 — CID 43056031

IUPAC1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1N1CC(C(=O)Nc2cccc(OCC3CCCO3)c2)CC1=O
InChIInChI=1S/C24H28N2O5/c1-16-8-9-22(29-2)21(11-16)26-14-17(12-23(26)27)24(28)25-18-5-3-6-19(13-18)31-15-20-7-4-10-30-20/h3,5-6,8-9,11,13,17,20H,4,7,10,12,14-15H2,1-2H3,(H,25,28)
InChIKeyXJTKJVYJYHVSOY-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.55
Rot. Bonds7

About 1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide

1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide (PubChem CID 43056031) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
PubChem CID43056031
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1N1CC(C(=O)Nc2cccc(OCC3CCCO3)c2)CC1=O
InChIInChI=1S/C24H28N2O5/c1-16-8-9-22(29-2)21(11-16)26-14-17(12-23(26)27)24(28)25-18-5-3-6-19(13-18)31-15-20-7-4-10-30-20/h3,5-6,8-9,11,13,17,20H,4,7,10,12,14-15H2,1-2H3,(H,25,28)
InChIKeyXJTKJVYJYHVSOY-UHFFFAOYSA-N
XLogP3.55
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(2-fluorophenyl)-5-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-3-carboxamide
CID 30822278
1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 55597121
1-benzyl-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
CID 46802994
(3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 40991014
2-(2,4-dimethylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 17141795
N-(3-methoxyphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18885956
1-(2,5-dimethylphenyl)-6-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]-4,5-dihydropyridazine-3-carboxamide
CID 43056022
N-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55806816
N-(2,6-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188236
1-(2-methoxy-5-methylphenyl)-5-oxo-N-(3-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 55765863
2-methoxy-5-nitro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 43057820
(3S)-N-(3,4-dimethylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26915395

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide (CID 43056031) is 1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide is COc1ccc(C)cc1N1CC(C(=O)Nc2cccc(OCC3CCCO3)c2)CC1=O.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is XJTKJVYJYHVSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-16-8-9-22(29-2)21(11-16)26-14-17(12-23(26)27)24(28)25-18-5-3-6-19(13-18)31-15-20-7-4-10-30-20/h3,5-6,8-9,11,13,17,20H,4,7,10,12,14-15H2,1-2H3,(H,25,28).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide?
1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 43056031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).