2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone

C13H24N2O3 — CID 98689719

IUPAC2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone
SMILESC[C@@H]1CN(C(=O)CN2C[C@@H](C)OC[C@@H]2C)CCO1
InChIInChI=1S/C13H24N2O3/c1-10-9-18-12(3)7-15(10)8-13(16)14-4-5-17-11(2)6-14/h10-12H,4-9H2,1-3H3/t10-,11+,12+/m0/s1
InChIKeyNKULDUXJYMCAGB-QJPTWQEYSA-N
MW256.35 g/mol
LogP0.34
Rot. Bonds2

About 2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone

2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone (PubChem CID 98689719) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone
PubChem CID98689719
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone
SMILESC[C@@H]1CN(C(=O)CN2C[C@@H](C)OC[C@@H]2C)CCO1
InChIInChI=1S/C13H24N2O3/c1-10-9-18-12(3)7-15(10)8-13(16)14-4-5-17-11(2)6-14/h10-12H,4-9H2,1-3H3/t10-,11+,12+/m0/s1
InChIKeyNKULDUXJYMCAGB-QJPTWQEYSA-N
XLogP0.34
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(azepan-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 51074710
2-(azepan-1-yl)-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 94823036
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone
CID 62015912
1-[(2R)-2-methylmorpholin-4-yl]-2-[(2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]ethanone
CID 95981641
2-(3-amino-4-methylpyrrolidin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 103576869
methyl 4-hydroxy-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 115971683
2-(4-hydroxy-3-methylpiperidin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 114681420
2-(2,5-dimethylmorpholin-4-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 134007332
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5-dimethylmorpholin-4-yl)ethanone
CID 42955060
2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone
CID 62062880
1-(2-methylmorpholin-4-yl)octan-1-one
CID 146665487
2-(2,5-dimethylmorpholin-4-yl)-1-(4-hydroxyphenyl)ethanone
CID 43796516

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone?
The IUPAC name of 2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone (CID 98689719) is 2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone is C[C@@H]1CN(C(=O)CN2C[C@@H](C)OC[C@@H]2C)CCO1.
What is the InChIKey of 2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone?
The InChIKey is NKULDUXJYMCAGB-QJPTWQEYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10-9-18-12(3)7-15(10)8-13(16)14-4-5-17-11(2)6-14/h10-12H,4-9H2,1-3H3/t10-,11+,12+/m0/s1.
What are the key properties of 2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone?
2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone has a molecular weight of 256.35 g/mol, XLogP of 0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone is sourced from PubChem (CID 98689719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).