4-benzyl-2-(4-methylbenzoyl)morpholin-3-one

C19H19NO3 — CID 102224305

IUPAC4-benzyl-2-(4-methylbenzoyl)morpholin-3-one
SMILESCc1ccc(C(=O)C2OCCN(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C19H19NO3/c1-14-7-9-16(10-8-14)17(21)18-19(22)20(11-12-23-18)13-15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3
InChIKeyHMILUEDZBVNRRX-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.61
Rot. Bonds4

About 4-benzyl-2-(4-methylbenzoyl)morpholin-3-one

4-benzyl-2-(4-methylbenzoyl)morpholin-3-one (PubChem CID 102224305) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-benzyl-2-(4-methylbenzoyl)morpholin-3-one.

Molecular Properties

Compound Name4-benzyl-2-(4-methylbenzoyl)morpholin-3-one
PubChem CID102224305
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name4-benzyl-2-(4-methylbenzoyl)morpholin-3-one
SMILESCc1ccc(C(=O)C2OCCN(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C19H19NO3/c1-14-7-9-16(10-8-14)17(21)18-19(22)20(11-12-23-18)13-15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3
InChIKeyHMILUEDZBVNRRX-UHFFFAOYSA-N
XLogP2.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 4-benzyl-2-(4-methylbenzoyl)morpholin-3-one 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

4-Biphenylyl[1-(methoxyacetyl)-3-piperidinyl]methanone
CID 23723561
[4-(Morpholine-4-carbonyl)phenyl]-phenylmethanone
CID 2230131
ST043087
CID 2189777
[4-(2,6-Dimethylmorpholine-4-carbonyl)phenyl]-phenylmethanone
CID 2999020
1-Benzyl-2-(4-methylphenyl)-4-oxo-3-azetidinyl acetate
CID 4231036
Oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
CID 4782471
4-benzoyl-N-benzyl-N-(2-methoxyethyl)benzamide
CID 4882426
[(2R)-oxolan-2-yl]-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
CID 7873337
N,N-Diethyl-4-(morpholin-4-yl-phenyl-methyl)-benzamide
CID 10498207
2-Hydroxy-3-morpholino-1,3-diphenyl-1-propanone
CID 3731291
4-Ethylbenzoic acid, morpholide
CID 531871
2,4-Dibenzyl-morpholin-3-one
CID 10468932

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(4-methylbenzoyl)morpholin-3-one?
The IUPAC name of 4-benzyl-2-(4-methylbenzoyl)morpholin-3-one (CID 102224305) is 4-benzyl-2-(4-methylbenzoyl)morpholin-3-one.
What is the SMILES notation for 4-benzyl-2-(4-methylbenzoyl)morpholin-3-one?
The canonical SMILES for 4-benzyl-2-(4-methylbenzoyl)morpholin-3-one is Cc1ccc(C(=O)C2OCCN(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of 4-benzyl-2-(4-methylbenzoyl)morpholin-3-one?
The InChIKey is HMILUEDZBVNRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-14-7-9-16(10-8-14)17(21)18-19(22)20(11-12-23-18)13-15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3.
What are the key properties of 4-benzyl-2-(4-methylbenzoyl)morpholin-3-one?
4-benzyl-2-(4-methylbenzoyl)morpholin-3-one has a molecular weight of 309.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(4-methylbenzoyl)morpholin-3-one is sourced from PubChem (CID 102224305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).