1-(1-ethylimidazol-2-yl)-2-methyl-2-morpholin-4-ylbutan-1-one

C14H23N3O2 — CID 79064858

IUPAC1-(1-ethylimidazol-2-yl)-2-methyl-2-morpholin-4-ylbutan-1-one
SMILESCCn1ccnc1C(=O)C(C)(CC)N1CCOCC1
InChIInChI=1S/C14H23N3O2/c1-4-14(3,17-8-10-19-11-9-17)12(18)13-15-6-7-16(13)5-2/h6-7H,4-5,8-11H2,1-3H3
InChIKeyNIYXXRJMOYMLJP-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.59
Rot. Bonds5

About 1-(1-ethylimidazol-2-yl)-2-methyl-2-morpholin-4-ylbutan-1-one

1-(1-ethylimidazol-2-yl)-2-methyl-2-morpholin-4-ylbutan-1-one (PubChem CID 79064858) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-2-methyl-2-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-2-methyl-2-morpholin-4-ylbutan-1-one
PubChem CID79064858
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-(1-ethylimidazol-2-yl)-2-methyl-2-morpholin-4-ylbutan-1-one
SMILESCCn1ccnc1C(=O)C(C)(CC)N1CCOCC1
InChIInChI=1S/C14H23N3O2/c1-4-14(3,17-8-10-19-11-9-17)12(18)13-15-6-7-16(13)5-2/h6-7H,4-5,8-11H2,1-3H3
InChIKeyNIYXXRJMOYMLJP-UHFFFAOYSA-N
XLogP1.59
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-2-methyl-2-morpholin-4-ylbutan-1-one?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-2-methyl-2-morpholin-4-ylbutan-1-one (CID 79064858) is 1-(1-ethylimidazol-2-yl)-2-methyl-2-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-2-methyl-2-morpholin-4-ylbutan-1-one?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-2-methyl-2-morpholin-4-ylbutan-1-one is CCn1ccnc1C(=O)C(C)(CC)N1CCOCC1.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-2-methyl-2-morpholin-4-ylbutan-1-one?
The InChIKey is NIYXXRJMOYMLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-14(3,17-8-10-19-11-9-17)12(18)13-15-6-7-16(13)5-2/h6-7H,4-5,8-11H2,1-3H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-2-methyl-2-morpholin-4-ylbutan-1-one?
1-(1-ethylimidazol-2-yl)-2-methyl-2-morpholin-4-ylbutan-1-one has a molecular weight of 265.36 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-2-methyl-2-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 79064858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).