1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone

C11H22N2O3 — CID 71785885

IUPAC1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone
SMILESCCOCC(=O)N1CCOCC1CN(C)C
InChIInChI=1S/C11H22N2O3/c1-4-15-9-11(14)13-5-6-16-8-10(13)7-12(2)3/h10H,4-9H2,1-3H3
InChIKeyLXEUGIPRZWUXOW-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.19
Rot. Bonds5

About 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone

1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone (PubChem CID 71785885) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone.

Molecular Properties

Compound Name1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone
PubChem CID71785885
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone
SMILESCCOCC(=O)N1CCOCC1CN(C)C
InChIInChI=1S/C11H22N2O3/c1-4-15-9-11(14)13-5-6-16-8-10(13)7-12(2)3/h10H,4-9H2,1-3H3
InChIKeyLXEUGIPRZWUXOW-UHFFFAOYSA-N
XLogP-0.19
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Piperazine, 1,4-bis(methoxyacetyl)-
CID 204973
Piperazine, 1,4-bis(ethoxyacetyl)-
CID 204974
1,4-Bis(isopropoxyacetyl)piperazine
CID 205041
Piperazine, 1,4-bis(propoxyacetyl)-
CID 204975
Piperazine, 1,4-bis(butoxyacetyl)-
CID 204976
Piperazine,1-(ethoxyacetyl)-4-ethyl-
CID 2947957
5-(Aminomethyl)-4-methylmorpholin-3-one
CID 84107092
(5S)-5-(aminomethyl)-4-methylmorpholin-3-one
CID 165950268
(5R)-5-(aminomethyl)-4-methylmorpholin-3-one
CID 165950379
1-(3-((Dimethylamino)methyl)morpholino)-2-ethoxyethanone formate
CID 71785884
2-Methoxy-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 53517550
2-butoxy-N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methylacetamide
CID 86797070

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone?
The IUPAC name of 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone (CID 71785885) is 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone.
What is the SMILES notation for 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone?
The canonical SMILES for 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone is CCOCC(=O)N1CCOCC1CN(C)C.
What is the InChIKey of 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone?
The InChIKey is LXEUGIPRZWUXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-15-9-11(14)13-5-6-16-8-10(13)7-12(2)3/h10H,4-9H2,1-3H3.
What are the key properties of 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone?
1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone has a molecular weight of 230.31 g/mol, XLogP of -0.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone is sourced from PubChem (CID 71785885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).