[5,5-dimethyl-2-(2-phenylethyl)morpholin-4-yl]-(oxolan-2-yl)methanone

C19H27NO3 — CID 110707034

IUPAC[5,5-dimethyl-2-(2-phenylethyl)morpholin-4-yl]-(oxolan-2-yl)methanone
SMILESCC1(C)COC(CCc2ccccc2)CN1C(=O)C1CCCO1
InChIInChI=1S/C19H27NO3/c1-19(2)14-23-16(11-10-15-7-4-3-5-8-15)13-20(19)18(21)17-9-6-12-22-17/h3-5,7-8,16-17H,6,9-14H2,1-2H3
InChIKeyLURGLUCGRPUSON-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.80
Rot. Bonds4

About [5,5-dimethyl-2-(2-phenylethyl)morpholin-4-yl]-(oxolan-2-yl)methanone

[5,5-dimethyl-2-(2-phenylethyl)morpholin-4-yl]-(oxolan-2-yl)methanone (PubChem CID 110707034) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is [5,5-dimethyl-2-(2-phenylethyl)morpholin-4-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[5,5-dimethyl-2-(2-phenylethyl)morpholin-4-yl]-(oxolan-2-yl)methanone
PubChem CID110707034
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name[5,5-dimethyl-2-(2-phenylethyl)morpholin-4-yl]-(oxolan-2-yl)methanone
SMILESCC1(C)COC(CCc2ccccc2)CN1C(=O)C1CCCO1
InChIInChI=1S/C19H27NO3/c1-19(2)14-23-16(11-10-15-7-4-3-5-8-15)13-20(19)18(21)17-9-6-12-22-17/h3-5,7-8,16-17H,6,9-14H2,1-2H3
InChIKeyLURGLUCGRPUSON-UHFFFAOYSA-N
XLogP2.80
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5,5-dimethyl-2-(2-phenylethyl)morpholine-4-carboxylate
CID 110707040
(5-benzyl-3,3-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone
CID 110673210
1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 95968357
(4R)-4-[4-[(2R)-oxolane-2-carbonyl]piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 51565884
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 110797536
1-(2-benzyl-5,5-dimethylmorpholin-4-yl)pentan-1-one
CID 110643761
(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 40606305
1-[5-methyl-2-(2-phenylethyl)morpholin-4-yl]ethanone
CID 110706995
1-[4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 110740943
oxan-4-yl-[(2R)-2-(2-phenylethyl)morpholin-4-yl]methanone
CID 25457524
oxolan-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 110871538
2-(2-phenylethyl)oxetane
CID 13354102

Frequently Asked Questions

What is the IUPAC name of [5,5-dimethyl-2-(2-phenylethyl)morpholin-4-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [5,5-dimethyl-2-(2-phenylethyl)morpholin-4-yl]-(oxolan-2-yl)methanone (CID 110707034) is [5,5-dimethyl-2-(2-phenylethyl)morpholin-4-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [5,5-dimethyl-2-(2-phenylethyl)morpholin-4-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [5,5-dimethyl-2-(2-phenylethyl)morpholin-4-yl]-(oxolan-2-yl)methanone is CC1(C)COC(CCc2ccccc2)CN1C(=O)C1CCCO1.
What is the InChIKey of [5,5-dimethyl-2-(2-phenylethyl)morpholin-4-yl]-(oxolan-2-yl)methanone?
The InChIKey is LURGLUCGRPUSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-19(2)14-23-16(11-10-15-7-4-3-5-8-15)13-20(19)18(21)17-9-6-12-22-17/h3-5,7-8,16-17H,6,9-14H2,1-2H3.
What are the key properties of [5,5-dimethyl-2-(2-phenylethyl)morpholin-4-yl]-(oxolan-2-yl)methanone?
[5,5-dimethyl-2-(2-phenylethyl)morpholin-4-yl]-(oxolan-2-yl)methanone has a molecular weight of 317.43 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5,5-dimethyl-2-(2-phenylethyl)morpholin-4-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 110707034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).