(2,6-dimethylmorpholin-4-yl)-[4-(oxolan-2-ylmethoxy)phenyl]methanone

C18H25NO4 — CID 78774258

IUPAC(2,6-dimethylmorpholin-4-yl)-[4-(oxolan-2-ylmethoxy)phenyl]methanone
SMILESCC1CN(C(=O)c2ccc(OCC3CCCO3)cc2)CC(C)O1
InChIInChI=1S/C18H25NO4/c1-13-10-19(11-14(2)23-13)18(20)15-5-7-16(8-6-15)22-12-17-4-3-9-21-17/h5-8,13-14,17H,3-4,9-12H2,1-2H3
InChIKeyWLDOEWKTKULVKG-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.49
Rot. Bonds4

About (2,6-dimethylmorpholin-4-yl)-[4-(oxolan-2-ylmethoxy)phenyl]methanone

(2,6-dimethylmorpholin-4-yl)-[4-(oxolan-2-ylmethoxy)phenyl]methanone (PubChem CID 78774258) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-[4-(oxolan-2-ylmethoxy)phenyl]methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-[4-(oxolan-2-ylmethoxy)phenyl]methanone
PubChem CID78774258
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name(2,6-dimethylmorpholin-4-yl)-[4-(oxolan-2-ylmethoxy)phenyl]methanone
SMILESCC1CN(C(=O)c2ccc(OCC3CCCO3)cc2)CC(C)O1
InChIInChI=1S/C18H25NO4/c1-13-10-19(11-14(2)23-13)18(20)15-5-7-16(8-6-15)22-12-17-4-3-9-21-17/h5-8,13-14,17H,3-4,9-12H2,1-2H3
InChIKeyWLDOEWKTKULVKG-UHFFFAOYSA-N
XLogP2.49
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone
CID 78777666
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 120656262
[(3R)-3-aminopyrrolidin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124699629
(3S)-1-[4-(oxolan-2-ylmethoxy)benzoyl]piperidine-3-carboxylic acid
CID 119113571
(2,2-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 97090718
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[2-[(2S)-oxolan-2-yl]ethylamino]phenyl]methanone
CID 99828580
(3R)-3-methyl-1-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 125134053
1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
(2,6-dimethylmorpholin-4-yl)-[4-(2-methylprop-2-enoxy)phenyl]methanone
CID 6472543
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 3280482

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-[4-(oxolan-2-ylmethoxy)phenyl]methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-[4-(oxolan-2-ylmethoxy)phenyl]methanone (CID 78774258) is (2,6-dimethylmorpholin-4-yl)-[4-(oxolan-2-ylmethoxy)phenyl]methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-[4-(oxolan-2-ylmethoxy)phenyl]methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-[4-(oxolan-2-ylmethoxy)phenyl]methanone is CC1CN(C(=O)c2ccc(OCC3CCCO3)cc2)CC(C)O1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-[4-(oxolan-2-ylmethoxy)phenyl]methanone?
The InChIKey is WLDOEWKTKULVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-13-10-19(11-14(2)23-13)18(20)15-5-7-16(8-6-15)22-12-17-4-3-9-21-17/h5-8,13-14,17H,3-4,9-12H2,1-2H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-[4-(oxolan-2-ylmethoxy)phenyl]methanone?
(2,6-dimethylmorpholin-4-yl)-[4-(oxolan-2-ylmethoxy)phenyl]methanone has a molecular weight of 319.40 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-[4-(oxolan-2-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 78774258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).