4-N-cyclohexyl-2-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]morpholine-2,4-dicarboxamide

C18H30N6O3 — CID 56894270

IUPAC4-N-cyclohexyl-2-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]morpholine-2,4-dicarboxamide
SMILESCCn1cnnc1CCNC(=O)C1CN(C(=O)NC2CCCCC2)CCO1
InChIInChI=1S/C18H30N6O3/c1-2-23-13-20-22-16(23)8-9-19-17(25)15-12-24(10-11-27-15)18(26)21-14-6-4-3-5-7-14/h13-15H,2-12H2,1H3,(H,19,25)(H,21,26)
InChIKeyVEWRKWSMFNSULH-UHFFFAOYSA-N
MW378.48 g/mol
LogP0.70
Rot. Bonds6

About 4-N-cyclohexyl-2-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]morpholine-2,4-dicarboxamide

4-N-cyclohexyl-2-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]morpholine-2,4-dicarboxamide (PubChem CID 56894270) has the molecular formula C18H30N6O3 and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-N-cyclohexyl-2-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]morpholine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-cyclohexyl-2-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]morpholine-2,4-dicarboxamide
PubChem CID56894270
Molecular FormulaC18H30N6O3
Molecular Weight378.48 g/mol
Exact Mass378.24
IUPAC Name4-N-cyclohexyl-2-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]morpholine-2,4-dicarboxamide
SMILESCCn1cnnc1CCNC(=O)C1CN(C(=O)NC2CCCCC2)CCO1
InChIInChI=1S/C18H30N6O3/c1-2-23-13-20-22-16(23)8-9-19-17(25)15-12-24(10-11-27-15)18(26)21-14-6-4-3-5-7-14/h13-15H,2-12H2,1H3,(H,19,25)(H,21,26)
InChIKeyVEWRKWSMFNSULH-UHFFFAOYSA-N
XLogP0.70
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-2-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]morpholine-2,4-dicarboxamide?
The IUPAC name of 4-N-cyclohexyl-2-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]morpholine-2,4-dicarboxamide (CID 56894270) is 4-N-cyclohexyl-2-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]morpholine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-cyclohexyl-2-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]morpholine-2,4-dicarboxamide?
The canonical SMILES for 4-N-cyclohexyl-2-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]morpholine-2,4-dicarboxamide is CCn1cnnc1CCNC(=O)C1CN(C(=O)NC2CCCCC2)CCO1.
What is the InChIKey of 4-N-cyclohexyl-2-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]morpholine-2,4-dicarboxamide?
The InChIKey is VEWRKWSMFNSULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O3/c1-2-23-13-20-22-16(23)8-9-19-17(25)15-12-24(10-11-27-15)18(26)21-14-6-4-3-5-7-14/h13-15H,2-12H2,1H3,(H,19,25)(H,21,26).
What are the key properties of 4-N-cyclohexyl-2-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]morpholine-2,4-dicarboxamide?
4-N-cyclohexyl-2-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]morpholine-2,4-dicarboxamide has a molecular weight of 378.48 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-2-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]morpholine-2,4-dicarboxamide is sourced from PubChem (CID 56894270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).