3-ethyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]morpholine-4-carboxamide

C15H26N4O2 — CID 71868069

IUPAC3-ethyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]morpholine-4-carboxamide
SMILESCCC1COCCN1C(=O)NCc1nccn1CC(C)C
InChIInChI=1S/C15H26N4O2/c1-4-13-11-21-8-7-19(13)15(20)17-9-14-16-5-6-18(14)10-12(2)3/h5-6,12-13H,4,7-11H2,1-3H3,(H,17,20)
InChIKeyHFYDRLXTJMHVQW-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.86
Rot. Bonds5

About 3-ethyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]morpholine-4-carboxamide

3-ethyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]morpholine-4-carboxamide (PubChem CID 71868069) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-ethyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]morpholine-4-carboxamide
PubChem CID71868069
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name3-ethyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]morpholine-4-carboxamide
SMILESCCC1COCCN1C(=O)NCc1nccn1CC(C)C
InChIInChI=1S/C15H26N4O2/c1-4-13-11-21-8-7-19(13)15(20)17-9-14-16-5-6-18(14)10-12(2)3/h5-6,12-13H,4,7-11H2,1-3H3,(H,17,20)
InChIKeyHFYDRLXTJMHVQW-UHFFFAOYSA-N
XLogP1.86
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]morpholine-4-carboxamide?
The IUPAC name of 3-ethyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]morpholine-4-carboxamide (CID 71868069) is 3-ethyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]morpholine-4-carboxamide?
The canonical SMILES for 3-ethyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]morpholine-4-carboxamide is CCC1COCCN1C(=O)NCc1nccn1CC(C)C.
What is the InChIKey of 3-ethyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]morpholine-4-carboxamide?
The InChIKey is HFYDRLXTJMHVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-4-13-11-21-8-7-19(13)15(20)17-9-14-16-5-6-18(14)10-12(2)3/h5-6,12-13H,4,7-11H2,1-3H3,(H,17,20).
What are the key properties of 3-ethyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]morpholine-4-carboxamide?
3-ethyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]morpholine-4-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 71868069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).