1-(2-methoxy-5-methylphenyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C24H29N3O4 — CID 55900330

IUPAC1-(2-methoxy-5-methylphenyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1N1CC(C(=O)Nc2ccccc2CN2CCOCC2)CC1=O
InChIInChI=1S/C24H29N3O4/c1-17-7-8-22(30-2)21(13-17)27-16-19(14-23(27)28)24(29)25-20-6-4-3-5-18(20)15-26-9-11-31-12-10-26/h3-8,13,19H,9-12,14-16H2,1-2H3,(H,25,29)
InChIKeyHSFQAAGTZSIONB-UHFFFAOYSA-N
MW423.51 g/mol
LogP2.83
Rot. Bonds6

About 1-(2-methoxy-5-methylphenyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-(2-methoxy-5-methylphenyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55900330) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55900330
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name1-(2-methoxy-5-methylphenyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1N1CC(C(=O)Nc2ccccc2CN2CCOCC2)CC1=O
InChIInChI=1S/C24H29N3O4/c1-17-7-8-22(30-2)21(13-17)27-16-19(14-23(27)28)24(29)25-20-6-4-3-5-18(20)15-26-9-11-31-12-10-26/h3-8,13,19H,9-12,14-16H2,1-2H3,(H,25,29)
InChIKeyHSFQAAGTZSIONB-UHFFFAOYSA-N
XLogP2.83
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-morpholin-4-ylphenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42999905
N-(2-hydroxy-5-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108801213
(3R)-N-(2-methoxy-5-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9098300
(3S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26268983
(3S)-N-(2-chloro-4-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8885963
N-(2,6-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188236
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55676823
(3R)-1-(2-methoxy-5-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41025725
1-(2-methoxy-5-methylphenyl)-5-oxo-N-(2-prop-2-enylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 43030785
(3S)-1-(2,4-dimethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056213
1-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586094
3-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylbenzoic acid
CID 108801215

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 55900330) is 1-(2-methoxy-5-methylphenyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(C)cc1N1CC(C(=O)Nc2ccccc2CN2CCOCC2)CC1=O.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HSFQAAGTZSIONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-17-7-8-22(30-2)21(13-17)27-16-19(14-23(27)28)24(29)25-20-6-4-3-5-18(20)15-26-9-11-31-12-10-26/h3-8,13,19H,9-12,14-16H2,1-2H3,(H,25,29).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-methoxy-5-methylphenyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 423.51 g/mol, XLogP of 2.83, 6 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)-N-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55900330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).