7-hydroxy-1-(2-methyl-2-phenylmorpholin-4-yl)octan-1-one

C19H29NO3 — CID 126835034

IUPAC7-hydroxy-1-(2-methyl-2-phenylmorpholin-4-yl)octan-1-one
SMILESCC(O)CCCCCC(=O)N1CCOC(C)(c2ccccc2)C1
InChIInChI=1S/C19H29NO3/c1-16(21)9-5-3-8-12-18(22)20-13-14-23-19(2,15-20)17-10-6-4-7-11-17/h4,6-7,10-11,16,21H,3,5,8-9,12-15H2,1-2H3
InChIKeyMOSLGMABLZKHEK-UHFFFAOYSA-N
MW319.44 g/mol
LogP3.09
Rot. Bonds7

About 7-hydroxy-1-(2-methyl-2-phenylmorpholin-4-yl)octan-1-one

7-hydroxy-1-(2-methyl-2-phenylmorpholin-4-yl)octan-1-one (PubChem CID 126835034) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is 7-hydroxy-1-(2-methyl-2-phenylmorpholin-4-yl)octan-1-one.

Molecular Properties

Compound Name7-hydroxy-1-(2-methyl-2-phenylmorpholin-4-yl)octan-1-one
PubChem CID126835034
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name7-hydroxy-1-(2-methyl-2-phenylmorpholin-4-yl)octan-1-one
SMILESCC(O)CCCCCC(=O)N1CCOC(C)(c2ccccc2)C1
InChIInChI=1S/C19H29NO3/c1-16(21)9-5-3-8-12-18(22)20-13-14-23-19(2,15-20)17-10-6-4-7-11-17/h4,6-7,10-11,16,21H,3,5,8-9,12-15H2,1-2H3
InChIKeyMOSLGMABLZKHEK-UHFFFAOYSA-N
XLogP3.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-methyl-2-phenylmorpholin-4-yl)-4-oxobutan-2-yl]pyrrolidin-2-one
CID 127267540
N-(3-methoxypropyl)-N,2-dimethyl-2-phenylmorpholine-4-carboxamide
CID 91651334
[1-(difluoromethyl)cyclopropyl]-(2-methyl-2-phenylmorpholin-4-yl)methanone
CID 126817191
4-[(2R)-2-methyl-2-phenylmorpholin-4-yl]butanoic acid
CID 124573817
2-methyl-N-(4-methylsulfanylbutyl)-2-phenylmorpholine-4-carboxamide
CID 71970349
3-[(2R)-2-methyl-2-phenylmorpholin-4-yl]propanoic acid
CID 124692793
3-[(2R)-2-methyl-2-phenylmorpholine-4-carbonyl]benzoic acid
CID 124688908
2-[(2R)-2-methyl-2-phenylmorpholin-4-yl]acetic acid
CID 124692791
N-[3-(2,2-dimethylmorpholin-4-yl)-3-oxopropyl]-2-phenylacetamide
CID 86981316
(2-methyl-2-phenylmorpholin-4-yl)-(4-prop-2-enyloxan-4-yl)methanone
CID 126819255
7-amino-1-(3-methyl-3-phenylpiperidin-1-yl)heptan-1-one
CID 119786941
1-(2,2-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one
CID 35017812

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1-(2-methyl-2-phenylmorpholin-4-yl)octan-1-one?
The IUPAC name of 7-hydroxy-1-(2-methyl-2-phenylmorpholin-4-yl)octan-1-one (CID 126835034) is 7-hydroxy-1-(2-methyl-2-phenylmorpholin-4-yl)octan-1-one.
What is the SMILES notation for 7-hydroxy-1-(2-methyl-2-phenylmorpholin-4-yl)octan-1-one?
The canonical SMILES for 7-hydroxy-1-(2-methyl-2-phenylmorpholin-4-yl)octan-1-one is CC(O)CCCCCC(=O)N1CCOC(C)(c2ccccc2)C1.
What is the InChIKey of 7-hydroxy-1-(2-methyl-2-phenylmorpholin-4-yl)octan-1-one?
The InChIKey is MOSLGMABLZKHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-16(21)9-5-3-8-12-18(22)20-13-14-23-19(2,15-20)17-10-6-4-7-11-17/h4,6-7,10-11,16,21H,3,5,8-9,12-15H2,1-2H3.
What are the key properties of 7-hydroxy-1-(2-methyl-2-phenylmorpholin-4-yl)octan-1-one?
7-hydroxy-1-(2-methyl-2-phenylmorpholin-4-yl)octan-1-one has a molecular weight of 319.44 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1-(2-methyl-2-phenylmorpholin-4-yl)octan-1-one is sourced from PubChem (CID 126835034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).