(2,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone

C15H21NO4 — CID 39910406

IUPAC(2,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCOc1ccc(OC)c(C(=O)N2C[C@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C15H21NO4/c1-10-8-16(9-11(2)20-10)15(17)13-7-12(18-3)5-6-14(13)19-4/h5-7,10-11H,8-9H2,1-4H3/t10-,11-/m0/s1
InChIKeyZKFUSQBUEQSMTG-QWRGUYRKSA-N
MW279.34 g/mol
LogP1.95
Rot. Bonds3

About (2,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone

(2,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 39910406) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID39910406
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name(2,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCOc1ccc(OC)c(C(=O)N2C[C@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C15H21NO4/c1-10-8-16(9-11(2)20-10)15(17)13-7-12(18-3)5-6-14(13)19-4/h5-7,10-11H,8-9H2,1-4H3/t10-,11-/m0/s1
InChIKeyZKFUSQBUEQSMTG-QWRGUYRKSA-N
XLogP1.95
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminoazetidin-1-yl)-(2,5-dimethoxyphenyl)methanone
CID 63755995
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 27232905
(4-amino-3-methylpiperidin-1-yl)-(2,5-dimethoxyphenyl)methanone
CID 79880599
1-(2,5-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119203
(2,5-dimethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66262175
(2,6-dimethylmorpholin-4-yl)-(7-methoxy-2-methylquinolin-3-yl)methanone
CID 42924708
2-[[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-methoxyphenyl]methyl]isoindole-1,3-dione
CID 27660661
(4-amino-5-chloro-2-methoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;hydrochloride
CID 119669799
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 2513155
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]methanone
CID 7306681
(2,4-dimethoxyphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 789243
(2,5-dimethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119401629

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of (2,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone (CID 39910406) is (2,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for (2,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for (2,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone is COc1ccc(OC)c(C(=O)N2C[C@H](C)O[C@@H](C)C2)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is ZKFUSQBUEQSMTG-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10-8-16(9-11(2)20-10)15(17)13-7-12(18-3)5-6-14(13)19-4/h5-7,10-11H,8-9H2,1-4H3/t10-,11-/m0/s1.
What are the key properties of (2,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
(2,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 279.34 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 39910406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).