1-[4-(2-methyl-2-phenylmorpholin-4-yl)-4-oxobutan-2-yl]pyrrolidin-2-one

C19H26N2O3 — CID 127267540

IUPAC1-[4-(2-methyl-2-phenylmorpholin-4-yl)-4-oxobutan-2-yl]pyrrolidin-2-one
SMILESCC(CC(=O)N1CCOC(C)(c2ccccc2)C1)N1CCCC1=O
InChIInChI=1S/C19H26N2O3/c1-15(21-10-6-9-17(21)22)13-18(23)20-11-12-24-19(2,14-20)16-7-4-3-5-8-16/h3-5,7-8,15H,6,9-14H2,1-2H3
InChIKeyNNQZIXKZQJASKI-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.16
Rot. Bonds4

About 1-[4-(2-methyl-2-phenylmorpholin-4-yl)-4-oxobutan-2-yl]pyrrolidin-2-one

1-[4-(2-methyl-2-phenylmorpholin-4-yl)-4-oxobutan-2-yl]pyrrolidin-2-one (PubChem CID 127267540) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[4-(2-methyl-2-phenylmorpholin-4-yl)-4-oxobutan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(2-methyl-2-phenylmorpholin-4-yl)-4-oxobutan-2-yl]pyrrolidin-2-one
PubChem CID127267540
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-[4-(2-methyl-2-phenylmorpholin-4-yl)-4-oxobutan-2-yl]pyrrolidin-2-one
SMILESCC(CC(=O)N1CCOC(C)(c2ccccc2)C1)N1CCCC1=O
InChIInChI=1S/C19H26N2O3/c1-15(21-10-6-9-17(21)22)13-18(23)20-11-12-24-19(2,14-20)16-7-4-3-5-8-16/h3-5,7-8,15H,6,9-14H2,1-2H3
InChIKeyNNQZIXKZQJASKI-UHFFFAOYSA-N
XLogP2.16
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-hydroxy-1-(2-methyl-2-phenylmorpholin-4-yl)octan-1-one
CID 126835034
3-[(2R)-2-methyl-2-phenylmorpholine-4-carbonyl]benzoic acid
CID 124688908
1-(4-oxo-4-piperazin-1-ylbutan-2-yl)pyrrolidin-2-one
CID 82511193
[1-(difluoromethyl)cyclopropyl]-(2-methyl-2-phenylmorpholin-4-yl)methanone
CID 126817191
2-methyl-N-(4-methylsulfanylbutyl)-2-phenylmorpholine-4-carboxamide
CID 71970349
N-(3-methoxypropyl)-N,2-dimethyl-2-phenylmorpholine-4-carboxamide
CID 91651334
2-[(2R)-2-methyl-2-phenylmorpholin-4-yl]acetic acid
CID 124692791
3-[(2R)-2-methyl-2-phenylmorpholin-4-yl]propanoic acid
CID 124692793
(2-methyl-2-phenylmorpholin-4-yl)-(4-prop-2-enyloxan-4-yl)methanone
CID 126819255
4-[(2R)-2-methyl-2-phenylmorpholin-4-yl]butanoic acid
CID 124573817
(1-cyclopentyl-5-methylpyrazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone
CID 126784537
(2-chloro-3-methylimidazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone
CID 126840002

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyl-2-phenylmorpholin-4-yl)-4-oxobutan-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(2-methyl-2-phenylmorpholin-4-yl)-4-oxobutan-2-yl]pyrrolidin-2-one (CID 127267540) is 1-[4-(2-methyl-2-phenylmorpholin-4-yl)-4-oxobutan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(2-methyl-2-phenylmorpholin-4-yl)-4-oxobutan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(2-methyl-2-phenylmorpholin-4-yl)-4-oxobutan-2-yl]pyrrolidin-2-one is CC(CC(=O)N1CCOC(C)(c2ccccc2)C1)N1CCCC1=O.
What is the InChIKey of 1-[4-(2-methyl-2-phenylmorpholin-4-yl)-4-oxobutan-2-yl]pyrrolidin-2-one?
The InChIKey is NNQZIXKZQJASKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-15(21-10-6-9-17(21)22)13-18(23)20-11-12-24-19(2,14-20)16-7-4-3-5-8-16/h3-5,7-8,15H,6,9-14H2,1-2H3.
What are the key properties of 1-[4-(2-methyl-2-phenylmorpholin-4-yl)-4-oxobutan-2-yl]pyrrolidin-2-one?
1-[4-(2-methyl-2-phenylmorpholin-4-yl)-4-oxobutan-2-yl]pyrrolidin-2-one has a molecular weight of 330.43 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-2-phenylmorpholin-4-yl)-4-oxobutan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 127267540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).