1-(2-methoxy-5-methylphenyl)-4-[2-(2-methylphenyl)morpholine-4-carbonyl]pyrrolidin-2-one

C24H28N2O4 — CID 102558175

IUPAC1-(2-methoxy-5-methylphenyl)-4-[2-(2-methylphenyl)morpholine-4-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(C)cc1N1CC(C(=O)N2CCOC(c3ccccc3C)C2)CC1=O
InChIInChI=1S/C24H28N2O4/c1-16-8-9-21(29-3)20(12-16)26-14-18(13-23(26)27)24(28)25-10-11-30-22(15-25)19-7-5-4-6-17(19)2/h4-9,12,18,22H,10-11,13-15H2,1-3H3
InChIKeyQQWSADGQXNOTTE-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.27
Rot. Bonds4

About 1-(2-methoxy-5-methylphenyl)-4-[2-(2-methylphenyl)morpholine-4-carbonyl]pyrrolidin-2-one

1-(2-methoxy-5-methylphenyl)-4-[2-(2-methylphenyl)morpholine-4-carbonyl]pyrrolidin-2-one (PubChem CID 102558175) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-4-[2-(2-methylphenyl)morpholine-4-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-4-[2-(2-methylphenyl)morpholine-4-carbonyl]pyrrolidin-2-one
PubChem CID102558175
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name1-(2-methoxy-5-methylphenyl)-4-[2-(2-methylphenyl)morpholine-4-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(C)cc1N1CC(C(=O)N2CCOC(c3ccccc3C)C2)CC1=O
InChIInChI=1S/C24H28N2O4/c1-16-8-9-21(29-3)20(12-16)26-14-18(13-23(26)27)24(28)25-10-11-30-22(15-25)19-7-5-4-6-17(19)2/h4-9,12,18,22H,10-11,13-15H2,1-3H3
InChIKeyQQWSADGQXNOTTE-UHFFFAOYSA-N
XLogP3.27
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid
CID 119247975
1-(2-methoxyphenyl)-4-(2-phenylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 134040096
(4R)-1-(2-methoxy-5-methylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 41025662
(3S,4S)-1-[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952420
1-(2-methoxy-5-methylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 119401734
(4S)-1-(2,5-dimethoxyphenyl)-4-[(2S)-2-methylmorpholine-4-carbonyl]pyrrolidin-2-one
CID 94020901
(2R)-4-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid
CID 129469151
1-(5-chloro-2-methoxyphenyl)-4-[2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 55563584
1-(2-methoxy-5-methylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119561638
1-(2-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 18886001
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one;hydrochloride
CID 119636918
1-[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691372

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-4-[2-(2-methylphenyl)morpholine-4-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-4-[2-(2-methylphenyl)morpholine-4-carbonyl]pyrrolidin-2-one (CID 102558175) is 1-(2-methoxy-5-methylphenyl)-4-[2-(2-methylphenyl)morpholine-4-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-4-[2-(2-methylphenyl)morpholine-4-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-4-[2-(2-methylphenyl)morpholine-4-carbonyl]pyrrolidin-2-one is COc1ccc(C)cc1N1CC(C(=O)N2CCOC(c3ccccc3C)C2)CC1=O.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-4-[2-(2-methylphenyl)morpholine-4-carbonyl]pyrrolidin-2-one?
The InChIKey is QQWSADGQXNOTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-16-8-9-21(29-3)20(12-16)26-14-18(13-23(26)27)24(28)25-10-11-30-22(15-25)19-7-5-4-6-17(19)2/h4-9,12,18,22H,10-11,13-15H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-4-[2-(2-methylphenyl)morpholine-4-carbonyl]pyrrolidin-2-one?
1-(2-methoxy-5-methylphenyl)-4-[2-(2-methylphenyl)morpholine-4-carbonyl]pyrrolidin-2-one has a molecular weight of 408.50 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-4-[2-(2-methylphenyl)morpholine-4-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 102558175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).