1-(3,3-dimethylmorpholin-4-yl)-4-(3-methoxyphenyl)butane-1,4-dione

C17H23NO4 — CID 110624362

IUPAC1-(3,3-dimethylmorpholin-4-yl)-4-(3-methoxyphenyl)butane-1,4-dione
SMILESCOc1cccc(C(=O)CCC(=O)N2CCOCC2(C)C)c1
InChIInChI=1S/C17H23NO4/c1-17(2)12-22-10-9-18(17)16(20)8-7-15(19)13-5-4-6-14(11-13)21-3/h4-6,11H,7-10,12H2,1-3H3
InChIKeyNSUJHTCVZDPYPT-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.30
Rot. Bonds5

About 1-(3,3-dimethylmorpholin-4-yl)-4-(3-methoxyphenyl)butane-1,4-dione

1-(3,3-dimethylmorpholin-4-yl)-4-(3-methoxyphenyl)butane-1,4-dione (PubChem CID 110624362) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 1-(3,3-dimethylmorpholin-4-yl)-4-(3-methoxyphenyl)butane-1,4-dione.

Molecular Properties

Compound Name1-(3,3-dimethylmorpholin-4-yl)-4-(3-methoxyphenyl)butane-1,4-dione
PubChem CID110624362
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name1-(3,3-dimethylmorpholin-4-yl)-4-(3-methoxyphenyl)butane-1,4-dione
SMILESCOc1cccc(C(=O)CCC(=O)N2CCOCC2(C)C)c1
InChIInChI=1S/C17H23NO4/c1-17(2)12-22-10-9-18(17)16(20)8-7-15(19)13-5-4-6-14(11-13)21-3/h4-6,11H,7-10,12H2,1-3H3
InChIKeyNSUJHTCVZDPYPT-UHFFFAOYSA-N
XLogP2.30
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,3-dimethylmorpholin-4-yl)-4-(3-methoxyphenyl)butane-1,4-dione with MolForge

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Related Compounds

3-(3-aminophenoxy)-1-(3,3-dimethylmorpholin-4-yl)propan-1-one
CID 61428266
(3,5-dimethoxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 112507350
1-(2-chlorophenyl)-4-(3,3-dimethylmorpholin-4-yl)butane-1,4-dione
CID 110624363
1-(3-methoxyphenyl)-4-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione
CID 110634574
1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-(3-methoxyphenyl)butane-1,4-dione
CID 110611602
1-(3,3-dimethylmorpholin-4-yl)-3-(3-fluorophenyl)propan-1-one
CID 110421813
4-(3-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide
CID 110613002
1-(3-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 46743519
3-(3,4-dichlorophenyl)-1-(3,3-dimethylmorpholin-4-yl)propan-1-one
CID 110304613
1-(4-benzylpiperidin-1-yl)-4-(3-methoxyphenyl)butane-1,4-dione
CID 110416061
1-(1-benzofuran-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione
CID 90363608
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)-4-(3-methoxyphenyl)butane-1,4-dione?
The IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)-4-(3-methoxyphenyl)butane-1,4-dione (CID 110624362) is 1-(3,3-dimethylmorpholin-4-yl)-4-(3-methoxyphenyl)butane-1,4-dione.
What is the SMILES notation for 1-(3,3-dimethylmorpholin-4-yl)-4-(3-methoxyphenyl)butane-1,4-dione?
The canonical SMILES for 1-(3,3-dimethylmorpholin-4-yl)-4-(3-methoxyphenyl)butane-1,4-dione is COc1cccc(C(=O)CCC(=O)N2CCOCC2(C)C)c1.
What is the InChIKey of 1-(3,3-dimethylmorpholin-4-yl)-4-(3-methoxyphenyl)butane-1,4-dione?
The InChIKey is NSUJHTCVZDPYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-17(2)12-22-10-9-18(17)16(20)8-7-15(19)13-5-4-6-14(11-13)21-3/h4-6,11H,7-10,12H2,1-3H3.
What are the key properties of 1-(3,3-dimethylmorpholin-4-yl)-4-(3-methoxyphenyl)butane-1,4-dione?
1-(3,3-dimethylmorpholin-4-yl)-4-(3-methoxyphenyl)butane-1,4-dione has a molecular weight of 305.37 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylmorpholin-4-yl)-4-(3-methoxyphenyl)butane-1,4-dione is sourced from PubChem (CID 110624362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).