1-(3,4-dimethoxyphenyl)-4-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one

C19H26N2O5 — CID 110421848

IUPAC1-(3,4-dimethoxyphenyl)-4-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CC(C(=O)N3CCOCC3(C)C)CC2=O)cc1OC
InChIInChI=1S/C19H26N2O5/c1-19(2)12-26-8-7-21(19)18(23)13-9-17(22)20(11-13)14-5-6-15(24-3)16(10-14)25-4/h5-6,10,13H,7-9,11-12H2,1-4H3
InChIKeyVIVSGPGOLQJEBX-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.69
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)-4-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one

1-(3,4-dimethoxyphenyl)-4-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one (PubChem CID 110421848) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-4-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-4-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one
PubChem CID110421848
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name1-(3,4-dimethoxyphenyl)-4-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CC(C(=O)N3CCOCC3(C)C)CC2=O)cc1OC
InChIInChI=1S/C19H26N2O5/c1-19(2)12-26-8-7-21(19)18(23)13-9-17(22)20(11-13)14-5-6-15(24-3)16(10-14)25-4/h5-6,10,13H,7-9,11-12H2,1-4H3
InChIKeyVIVSGPGOLQJEBX-UHFFFAOYSA-N
XLogP1.69
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethoxyphenyl)-4-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 110624484
(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378519
(3R)-1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 125149870
(4R)-1-(3-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 9375968
(3S)-1-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 125149004
(4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one
CID 35503338
N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]morpholine-4-carboxamide
CID 7244367
1-(3,4-dimethoxyphenyl)-4-[4-(3-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55742975
1-(3,4-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55573632
1-(3,4-dimethoxyphenyl)-4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 56572578
1-(3,4-dimethoxyphenyl)-4-[3-(furan-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 110424641
2-(3,4-dimethoxyphenyl)-1-(3,3-dimethylmorpholin-4-yl)-3-methylbutan-1-one
CID 110304702

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-4-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-4-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one (CID 110421848) is 1-(3,4-dimethoxyphenyl)-4-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-4-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-4-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one is COc1ccc(N2CC(C(=O)N3CCOCC3(C)C)CC2=O)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-4-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one?
The InChIKey is VIVSGPGOLQJEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-19(2)12-26-8-7-21(19)18(23)13-9-17(22)20(11-13)14-5-6-15(24-3)16(10-14)25-4/h5-6,10,13H,7-9,11-12H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-4-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one?
1-(3,4-dimethoxyphenyl)-4-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one has a molecular weight of 362.43 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-4-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 110421848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).