(2S)-2-ethyl-N-(2-imidazol-1-ylethyl)-2-methylmorpholine-4-carboxamide

C13H22N4O2 — CID 99825070

IUPAC(2S)-2-ethyl-N-(2-imidazol-1-ylethyl)-2-methylmorpholine-4-carboxamide
SMILESCC[C@@]1(C)CN(C(=O)NCCn2ccnc2)CCO1
InChIInChI=1S/C13H22N4O2/c1-3-13(2)10-17(8-9-19-13)12(18)15-5-7-16-6-4-14-11-16/h4,6,11H,3,5,7-10H2,1-2H3,(H,15,18)/t13-/m0/s1
InChIKeyOOFPLXYEQOVEAC-ZDUSSCGKSA-N
MW266.34 g/mol
LogP1.09
Rot. Bonds4

About (2S)-2-ethyl-N-(2-imidazol-1-ylethyl)-2-methylmorpholine-4-carboxamide

(2S)-2-ethyl-N-(2-imidazol-1-ylethyl)-2-methylmorpholine-4-carboxamide (PubChem CID 99825070) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2S)-2-ethyl-N-(2-imidazol-1-ylethyl)-2-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-ethyl-N-(2-imidazol-1-ylethyl)-2-methylmorpholine-4-carboxamide
PubChem CID99825070
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name(2S)-2-ethyl-N-(2-imidazol-1-ylethyl)-2-methylmorpholine-4-carboxamide
SMILESCC[C@@]1(C)CN(C(=O)NCCn2ccnc2)CCO1
InChIInChI=1S/C13H22N4O2/c1-3-13(2)10-17(8-9-19-13)12(18)15-5-7-16-6-4-14-11-16/h4,6,11H,3,5,7-10H2,1-2H3,(H,15,18)/t13-/m0/s1
InChIKeyOOFPLXYEQOVEAC-ZDUSSCGKSA-N
XLogP1.09
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-ethyl-N-(5-hydroxy-4,4-dimethylpentyl)-2-methylmorpholine-4-carboxamide
CID 99790006
(2R)-2-ethyl-2-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide
CID 99825094
(3S)-N-(2-imidazol-1-ylethyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
CID 124617607
N-(2-imidazol-1-ylethyl)-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111739396
1-(3-imidazol-1-ylpropylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123353
1-(2-imidazol-1-ylethyl)-3-methylurea
CID 58988197
2-ethyl-2-methyl-N-(oxolan-3-ylmethyl)morpholine-4-carboxamide
CID 86818299
N-(4-imidazol-1-ylbutyl)-3-methylpiperidine-1-carboxamide
CID 60547179
N-ethyl-2,2-dimethylmorpholine-4-carboxamide
CID 115583911
1-(2-imidazol-1-ylethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978311
(3aR,7aS)-N-(2-imidazol-1-ylethyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide
CID 136588099
2-imidazol-1-ylethylurea
CID 61061185

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-N-(2-imidazol-1-ylethyl)-2-methylmorpholine-4-carboxamide?
The IUPAC name of (2S)-2-ethyl-N-(2-imidazol-1-ylethyl)-2-methylmorpholine-4-carboxamide (CID 99825070) is (2S)-2-ethyl-N-(2-imidazol-1-ylethyl)-2-methylmorpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-ethyl-N-(2-imidazol-1-ylethyl)-2-methylmorpholine-4-carboxamide?
The canonical SMILES for (2S)-2-ethyl-N-(2-imidazol-1-ylethyl)-2-methylmorpholine-4-carboxamide is CC[C@@]1(C)CN(C(=O)NCCn2ccnc2)CCO1.
What is the InChIKey of (2S)-2-ethyl-N-(2-imidazol-1-ylethyl)-2-methylmorpholine-4-carboxamide?
The InChIKey is OOFPLXYEQOVEAC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-13(2)10-17(8-9-19-13)12(18)15-5-7-16-6-4-14-11-16/h4,6,11H,3,5,7-10H2,1-2H3,(H,15,18)/t13-/m0/s1.
What are the key properties of (2S)-2-ethyl-N-(2-imidazol-1-ylethyl)-2-methylmorpholine-4-carboxamide?
(2S)-2-ethyl-N-(2-imidazol-1-ylethyl)-2-methylmorpholine-4-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-N-(2-imidazol-1-ylethyl)-2-methylmorpholine-4-carboxamide is sourced from PubChem (CID 99825070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).