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

C11H18N4O2 — CID 71894042

IUPACN-(2-imidazol-1-ylethyl)-2-methylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)NCCn2ccnc2)CCO1
InChIInChI=1S/C11H18N4O2/c1-10-8-15(6-7-17-10)11(16)13-3-5-14-4-2-12-9-14/h2,4,9-10H,3,5-8H2,1H3,(H,13,16)
InChIKeyCKKRREYYVWGOPD-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.31
Rot. Bonds3

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

N-(2-imidazol-1-ylethyl)-2-methylmorpholine-4-carboxamide (PubChem CID 71894042) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-2-methylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-2-methylmorpholine-4-carboxamide
PubChem CID71894042
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-(2-imidazol-1-ylethyl)-2-methylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)NCCn2ccnc2)CCO1
InChIInChI=1S/C11H18N4O2/c1-10-8-15(6-7-17-10)11(16)13-3-5-14-4-2-12-9-14/h2,4,9-10H,3,5-8H2,1H3,(H,13,16)
InChIKeyCKKRREYYVWGOPD-UHFFFAOYSA-N
XLogP0.31
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-2-methylmorpholine-4-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-2-methylmorpholine-4-carboxamide (CID 71894042) is N-(2-imidazol-1-ylethyl)-2-methylmorpholine-4-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-2-methylmorpholine-4-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-2-methylmorpholine-4-carboxamide is CC1CN(C(=O)NCCn2ccnc2)CCO1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-2-methylmorpholine-4-carboxamide?
The InChIKey is CKKRREYYVWGOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-10-8-15(6-7-17-10)11(16)13-3-5-14-4-2-12-9-14/h2,4,9-10H,3,5-8H2,1H3,(H,13,16).
What are the key properties of N-(2-imidazol-1-ylethyl)-2-methylmorpholine-4-carboxamide?
N-(2-imidazol-1-ylethyl)-2-methylmorpholine-4-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-2-methylmorpholine-4-carboxamide is sourced from PubChem (CID 71894042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).