4-benzyl-2-[(4-methylphenyl)methyl]morpholin-3-one

C19H21NO2 — CID 142864915

IUPAC4-benzyl-2-[(4-methylphenyl)methyl]morpholin-3-one
SMILESCc1ccc(CC2OCCN(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C19H21NO2/c1-15-7-9-16(10-8-15)13-18-19(21)20(11-12-22-18)14-17-5-3-2-4-6-17/h2-10,18H,11-14H2,1H3
InChIKeyNNUVPMWZPGUAIP-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.97
Rot. Bonds4

About 4-benzyl-2-[(4-methylphenyl)methyl]morpholin-3-one

4-benzyl-2-[(4-methylphenyl)methyl]morpholin-3-one (PubChem CID 142864915) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-benzyl-2-[(4-methylphenyl)methyl]morpholin-3-one.

Molecular Properties

Compound Name4-benzyl-2-[(4-methylphenyl)methyl]morpholin-3-one
PubChem CID142864915
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name4-benzyl-2-[(4-methylphenyl)methyl]morpholin-3-one
SMILESCc1ccc(CC2OCCN(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C19H21NO2/c1-15-7-9-16(10-8-15)13-18-19(21)20(11-12-22-18)14-17-5-3-2-4-6-17/h2-10,18H,11-14H2,1H3
InChIKeyNNUVPMWZPGUAIP-UHFFFAOYSA-N
XLogP2.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 59741196
4-benzyl-2-(1H-indol-3-ylmethyl)morpholin-3-one
CID 10245452
(2R)-2-benzyl-4-methylmorpholin-3-one;bromobenzene
CID 144688089
4-benzyl-2-[hydroxy(phenyl)methyl]morpholin-3-one;ethane
CID 142864924
2-(4-benzyl-3-oxomorpholin-2-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 4231893
2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]-N-(4-fluorophenyl)acetamide
CID 941057
tert-butyl 4-benzyl-3-oxomorpholine-2-carboxylate
CID 15649498
(3S)-3-hydroxy-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 118207331
(3S)-1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 785093
dimethyl 5-[[2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 41000175
4-[(4-methoxyphenyl)methyl]-2-[[1-(3-phenoxyphenyl)imidazol-4-yl]methyl]morpholin-3-one
CID 22289870
chlorobenzene;1-chloro-4-methylbenzene;2-[2-[(4-cyanophenyl)methyl]-3-oxomorpholin-4-yl]pentanoic acid
CID 144688120

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[(4-methylphenyl)methyl]morpholin-3-one?
The IUPAC name of 4-benzyl-2-[(4-methylphenyl)methyl]morpholin-3-one (CID 142864915) is 4-benzyl-2-[(4-methylphenyl)methyl]morpholin-3-one.
What is the SMILES notation for 4-benzyl-2-[(4-methylphenyl)methyl]morpholin-3-one?
The canonical SMILES for 4-benzyl-2-[(4-methylphenyl)methyl]morpholin-3-one is Cc1ccc(CC2OCCN(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of 4-benzyl-2-[(4-methylphenyl)methyl]morpholin-3-one?
The InChIKey is NNUVPMWZPGUAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-15-7-9-16(10-8-15)13-18-19(21)20(11-12-22-18)14-17-5-3-2-4-6-17/h2-10,18H,11-14H2,1H3.
What are the key properties of 4-benzyl-2-[(4-methylphenyl)methyl]morpholin-3-one?
4-benzyl-2-[(4-methylphenyl)methyl]morpholin-3-one has a molecular weight of 295.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[(4-methylphenyl)methyl]morpholin-3-one is sourced from PubChem (CID 142864915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).