(3-methyl-2-phenylmorpholin-4-yl)-(oxolan-2-yl)methanone

C16H21NO3 — CID 110728429

IUPAC(3-methyl-2-phenylmorpholin-4-yl)-(oxolan-2-yl)methanone
SMILESCC1C(c2ccccc2)OCCN1C(=O)C1CCCO1
InChIInChI=1S/C16H21NO3/c1-12-15(13-6-3-2-4-7-13)20-11-9-17(12)16(18)14-8-5-10-19-14/h2-4,6-7,12,14-15H,5,8-11H2,1H3
InChIKeyJSRLYLHHTKPTEK-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.15
Rot. Bonds2

About (3-methyl-2-phenylmorpholin-4-yl)-(oxolan-2-yl)methanone

(3-methyl-2-phenylmorpholin-4-yl)-(oxolan-2-yl)methanone (PubChem CID 110728429) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (3-methyl-2-phenylmorpholin-4-yl)-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name(3-methyl-2-phenylmorpholin-4-yl)-(oxolan-2-yl)methanone
PubChem CID110728429
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(3-methyl-2-phenylmorpholin-4-yl)-(oxolan-2-yl)methanone
SMILESCC1C(c2ccccc2)OCCN1C(=O)C1CCCO1
InChIInChI=1S/C16H21NO3/c1-12-15(13-6-3-2-4-7-13)20-11-9-17(12)16(18)14-8-5-10-19-14/h2-4,6-7,12,14-15H,5,8-11H2,1H3
InChIKeyJSRLYLHHTKPTEK-UHFFFAOYSA-N
XLogP2.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S,3R)-3-methyl-2-phenylmorpholin-4-yl]ethanone
CID 92843868
1-[(2R,3S)-3-methyl-2-phenylmorpholin-4-yl]-4-[(2R,3R)-3-methyl-2-phenylmorpholin-4-yl]butane-1,4-dione
CID 40782270
[(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 100836872
1-(3-methyl-2-phenylmorpholin-4-yl)propan-1-one
CID 110728423
[(2S,5R)-5-methyl-2-phenylmorpholin-4-yl]-[(2R)-oxolan-2-yl]methanone
CID 124711560
oxolan-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 110871538
1-[(2R)-oxolane-2-carbonyl]-2-phenylpiperidin-4-one
CID 126833195
2-(dimethylamino)-1-(3-methyl-2-phenylmorpholin-4-yl)ethanone
CID 170895902
[(2S)-oxolan-2-yl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 51710322
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 120747151
[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-[(2R)-oxolan-2-yl]methanone
CID 99782883
[3-(chloromethyl)-2-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 130834478

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-phenylmorpholin-4-yl)-(oxolan-2-yl)methanone?
The IUPAC name of (3-methyl-2-phenylmorpholin-4-yl)-(oxolan-2-yl)methanone (CID 110728429) is (3-methyl-2-phenylmorpholin-4-yl)-(oxolan-2-yl)methanone.
What is the SMILES notation for (3-methyl-2-phenylmorpholin-4-yl)-(oxolan-2-yl)methanone?
The canonical SMILES for (3-methyl-2-phenylmorpholin-4-yl)-(oxolan-2-yl)methanone is CC1C(c2ccccc2)OCCN1C(=O)C1CCCO1.
What is the InChIKey of (3-methyl-2-phenylmorpholin-4-yl)-(oxolan-2-yl)methanone?
The InChIKey is JSRLYLHHTKPTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-12-15(13-6-3-2-4-7-13)20-11-9-17(12)16(18)14-8-5-10-19-14/h2-4,6-7,12,14-15H,5,8-11H2,1H3.
What are the key properties of (3-methyl-2-phenylmorpholin-4-yl)-(oxolan-2-yl)methanone?
(3-methyl-2-phenylmorpholin-4-yl)-(oxolan-2-yl)methanone has a molecular weight of 275.35 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-phenylmorpholin-4-yl)-(oxolan-2-yl)methanone is sourced from PubChem (CID 110728429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).