1-(2-methylmorpholin-4-yl)-4-(4-methylphenyl)butane-1,4-dione

C16H21NO3 — CID 110309987

IUPAC1-(2-methylmorpholin-4-yl)-4-(4-methylphenyl)butane-1,4-dione
SMILESCc1ccc(C(=O)CCC(=O)N2CCOC(C)C2)cc1
InChIInChI=1S/C16H21NO3/c1-12-3-5-14(6-4-12)15(18)7-8-16(19)17-9-10-20-13(2)11-17/h3-6,13H,7-11H2,1-2H3
InChIKeyVZPIWUCQRASWLT-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.21
Rot. Bonds4

About 1-(2-methylmorpholin-4-yl)-4-(4-methylphenyl)butane-1,4-dione

1-(2-methylmorpholin-4-yl)-4-(4-methylphenyl)butane-1,4-dione (PubChem CID 110309987) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(2-methylmorpholin-4-yl)-4-(4-methylphenyl)butane-1,4-dione.

Molecular Properties

Compound Name1-(2-methylmorpholin-4-yl)-4-(4-methylphenyl)butane-1,4-dione
PubChem CID110309987
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-(2-methylmorpholin-4-yl)-4-(4-methylphenyl)butane-1,4-dione
SMILESCc1ccc(C(=O)CCC(=O)N2CCOC(C)C2)cc1
InChIInChI=1S/C16H21NO3/c1-12-3-5-14(6-4-12)15(18)7-8-16(19)17-9-10-20-13(2)11-17/h3-6,13H,7-11H2,1-2H3
InChIKeyVZPIWUCQRASWLT-UHFFFAOYSA-N
XLogP2.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-methylmorpholin-4-yl)-4-(4-methylphenyl)butane-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-4-(2-methylmorpholin-4-yl)butane-1,4-dione
CID 110310053
4-methyl-N-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]benzamide
CID 46673862
1-(2-methylmorpholin-4-yl)-4-pyridin-3-ylbutane-1,4-dione
CID 110631390
1-[2-(2-chlorophenyl)morpholin-4-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 110356589
3-(2-methyl-1,4-oxazepan-4-yl)-1-(4-methylphenyl)propan-1-one
CID 62972993
1-(azepan-1-yl)-4-(4-methylphenyl)butane-1,4-dione
CID 2097562
5-methyl-1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 122119448
4-(4-oxo-4-phenylbutanoyl)morpholine-2-carboxylic acid
CID 119239623
1-(4-chlorophenyl)-4-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,4-dione
CID 110356660
1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butane-1,4-dione
CID 55662229
1-(4-methylphenyl)-4-[4-(3,4,5-trihydroxybenzoyl)piperazin-1-yl]butane-1,4-dione
CID 108534832
1-(4-acetyl-1,4-diazepan-1-yl)-4-(4-methylphenyl)butane-1,4-dione
CID 134039071

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylmorpholin-4-yl)-4-(4-methylphenyl)butane-1,4-dione?
The IUPAC name of 1-(2-methylmorpholin-4-yl)-4-(4-methylphenyl)butane-1,4-dione (CID 110309987) is 1-(2-methylmorpholin-4-yl)-4-(4-methylphenyl)butane-1,4-dione.
What is the SMILES notation for 1-(2-methylmorpholin-4-yl)-4-(4-methylphenyl)butane-1,4-dione?
The canonical SMILES for 1-(2-methylmorpholin-4-yl)-4-(4-methylphenyl)butane-1,4-dione is Cc1ccc(C(=O)CCC(=O)N2CCOC(C)C2)cc1.
What is the InChIKey of 1-(2-methylmorpholin-4-yl)-4-(4-methylphenyl)butane-1,4-dione?
The InChIKey is VZPIWUCQRASWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-12-3-5-14(6-4-12)15(18)7-8-16(19)17-9-10-20-13(2)11-17/h3-6,13H,7-11H2,1-2H3.
What are the key properties of 1-(2-methylmorpholin-4-yl)-4-(4-methylphenyl)butane-1,4-dione?
1-(2-methylmorpholin-4-yl)-4-(4-methylphenyl)butane-1,4-dione has a molecular weight of 275.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylmorpholin-4-yl)-4-(4-methylphenyl)butane-1,4-dione is sourced from PubChem (CID 110309987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).