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

C15H21NO2 — CID 59020126

IUPAC4-[2-methyl-2-(4-methylphenyl)propyl]morpholin-3-one
SMILESCc1ccc(C(C)(C)CN2CCOCC2=O)cc1
InChIInChI=1S/C15H21NO2/c1-12-4-6-13(7-5-12)15(2,3)11-16-8-9-18-10-14(16)17/h4-7H,8-11H2,1-3H3
InChIKeyZYEVWJCUTPBVNH-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.13
Rot. Bonds3

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

4-[2-methyl-2-(4-methylphenyl)propyl]morpholin-3-one (PubChem CID 59020126) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-[2-methyl-2-(4-methylphenyl)propyl]morpholin-3-one.

Molecular Properties

Compound Name4-[2-methyl-2-(4-methylphenyl)propyl]morpholin-3-one
PubChem CID59020126
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name4-[2-methyl-2-(4-methylphenyl)propyl]morpholin-3-one
SMILESCc1ccc(C(C)(C)CN2CCOCC2=O)cc1
InChIInChI=1S/C15H21NO2/c1-12-4-6-13(7-5-12)15(2,3)11-16-8-9-18-10-14(16)17/h4-7H,8-11H2,1-3H3
InChIKeyZYEVWJCUTPBVNH-UHFFFAOYSA-N
XLogP2.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-2-(4-methylphenyl)propyl]morpholin-3-one?
The IUPAC name of 4-[2-methyl-2-(4-methylphenyl)propyl]morpholin-3-one (CID 59020126) is 4-[2-methyl-2-(4-methylphenyl)propyl]morpholin-3-one.
What is the SMILES notation for 4-[2-methyl-2-(4-methylphenyl)propyl]morpholin-3-one?
The canonical SMILES for 4-[2-methyl-2-(4-methylphenyl)propyl]morpholin-3-one is Cc1ccc(C(C)(C)CN2CCOCC2=O)cc1.
What is the InChIKey of 4-[2-methyl-2-(4-methylphenyl)propyl]morpholin-3-one?
The InChIKey is ZYEVWJCUTPBVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12-4-6-13(7-5-12)15(2,3)11-16-8-9-18-10-14(16)17/h4-7H,8-11H2,1-3H3.
What are the key properties of 4-[2-methyl-2-(4-methylphenyl)propyl]morpholin-3-one?
4-[2-methyl-2-(4-methylphenyl)propyl]morpholin-3-one has a molecular weight of 247.34 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-2-(4-methylphenyl)propyl]morpholin-3-one is sourced from PubChem (CID 59020126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).