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

C18H25NO4 — CID 97090718

IUPAC(2,2-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
SMILESCC1(C)CN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)CCO1
InChIInChI=1S/C18H25NO4/c1-18(2)13-19(9-11-23-18)17(20)14-5-7-15(8-6-14)22-12-16-4-3-10-21-16/h5-8,16H,3-4,9-13H2,1-2H3/t16-/m0/s1
InChIKeyOAUAFCIHRXWWAC-INIZCTEOSA-N
MW319.40 g/mol
LogP2.50
Rot. Bonds4

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

(2,2-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone (PubChem CID 97090718) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is (2,2-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone.

Molecular Properties

Compound Name(2,2-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
PubChem CID97090718
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name(2,2-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
SMILESCC1(C)CN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)CCO1
InChIInChI=1S/C18H25NO4/c1-18(2)13-19(9-11-23-18)17(20)14-5-7-15(8-6-14)22-12-16-4-3-10-21-16/h5-8,16H,3-4,9-13H2,1-2H3/t16-/m0/s1
InChIKeyOAUAFCIHRXWWAC-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 (2,2-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
(3R)-3-methyl-1-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 125134053
3-fluoro-1-[4-(oxolan-2-ylmethoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 119258668
(2,6-dimethylmorpholin-4-yl)-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 78774258
[(3R)-3-aminopyrrolidin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124699629
(3,3-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 94814885
(3S)-1-[4-(oxolan-2-ylmethoxy)benzoyl]piperidine-3-carboxylic acid
CID 119113571
[(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
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 3280482
(3aS,6aR)-2-[4-(oxolan-2-ylmethoxy)benzoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682861
1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 86908238

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone?
The IUPAC name of (2,2-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone (CID 97090718) is (2,2-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone.
What is the SMILES notation for (2,2-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone?
The canonical SMILES for (2,2-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone is CC1(C)CN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)CCO1.
What is the InChIKey of (2,2-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone?
The InChIKey is OAUAFCIHRXWWAC-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25NO4/c1-18(2)13-19(9-11-23-18)17(20)14-5-7-15(8-6-14)22-12-16-4-3-10-21-16/h5-8,16H,3-4,9-13H2,1-2H3/t16-/m0/s1.
What are the key properties of (2,2-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone?
(2,2-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 (2,2-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone is sourced from PubChem (CID 97090718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).