(3,3-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone

C18H25NO4 — CID 94814885

IUPAC(3,3-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
SMILESCC1(C)COCCN1C(=O)c1ccc(OC[C@@H]2CCCO2)cc1
InChIInChI=1S/C18H25NO4/c1-18(2)13-21-11-9-19(18)17(20)14-5-7-15(8-6-14)23-12-16-4-3-10-22-16/h5-8,16H,3-4,9-13H2,1-2H3/t16-/m0/s1
InChIKeyJAJKWHMZNLCIIC-INIZCTEOSA-N
MW319.40 g/mol
LogP2.50
Rot. Bonds4

About (3,3-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone

(3,3-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone (PubChem CID 94814885) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is (3,3-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone.

Molecular Properties

Compound Name(3,3-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
PubChem CID94814885
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name(3,3-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
SMILESCC1(C)COCCN1C(=O)c1ccc(OC[C@@H]2CCCO2)cc1
InChIInChI=1S/C18H25NO4/c1-18(2)13-21-11-9-19(18)17(20)14-5-7-15(8-6-14)23-12-16-4-3-10-22-16/h5-8,16H,3-4,9-13H2,1-2H3/t16-/m0/s1
InChIKeyJAJKWHMZNLCIIC-INIZCTEOSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3,3-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone with MolForge

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Related Compounds

1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone
CID 78777666
(2,2-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 97090718
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]oxolane-2-carboxamide
CID 110352768
4-[4-(oxolan-2-ylmethoxy)benzoyl]morpholine-3-carboxylic acid
CID 119216307
(3R)-3-methyl-1-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 125134053
(2,6-dimethylmorpholin-4-yl)-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 78774258
1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
[(3R)-3-aminopyrrolidin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124699629
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
(2S)-1-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-2-carboxamide
CID 95901253
(2R)-1-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-2-carboxamide
CID 95901252
1-ethyl-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]cyclobutane-1-carboxamide
CID 95974545

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone?
The IUPAC name of (3,3-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone (CID 94814885) is (3,3-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone.
What is the SMILES notation for (3,3-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone?
The canonical SMILES for (3,3-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone is CC1(C)COCCN1C(=O)c1ccc(OC[C@@H]2CCCO2)cc1.
What is the InChIKey of (3,3-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone?
The InChIKey is JAJKWHMZNLCIIC-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25NO4/c1-18(2)13-21-11-9-19(18)17(20)14-5-7-15(8-6-14)23-12-16-4-3-10-22-16/h5-8,16H,3-4,9-13H2,1-2H3/t16-/m0/s1.
What are the key properties of (3,3-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone?
(3,3-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone has a molecular weight of 319.40 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone is sourced from PubChem (CID 94814885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).