2-[(2R)-2-cyclohexylmorpholin-4-yl]-N-(5-methyl-2-pyridinyl)-2-oxoacetamide

C18H25N3O3 — CID 164631346

IUPAC2-[(2R)-2-cyclohexylmorpholin-4-yl]-N-(5-methyl-2-pyridinyl)-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)N2CCO[C@H](C3CCCCC3)C2)nc1
InChIInChI=1S/C18H25N3O3/c1-13-7-8-16(19-11-13)20-17(22)18(23)21-9-10-24-15(12-21)14-5-3-2-4-6-14/h7-8,11,14-15H,2-6,9-10,12H2,1H3,(H,19,20,22)/t15-/m0/s1
InChIKeyAEEWVGQNVIUBKX-HNNXBMFYSA-N
MW331.42 g/mol
LogP2.14
Rot. Bonds2

About 2-[(2R)-2-cyclohexylmorpholin-4-yl]-N-(5-methyl-2-pyridinyl)-2-oxoacetamide

2-[(2R)-2-cyclohexylmorpholin-4-yl]-N-(5-methyl-2-pyridinyl)-2-oxoacetamide (PubChem CID 164631346) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[(2R)-2-cyclohexylmorpholin-4-yl]-N-(5-methyl-2-pyridinyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[(2R)-2-cyclohexylmorpholin-4-yl]-N-(5-methyl-2-pyridinyl)-2-oxoacetamide
PubChem CID164631346
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-[(2R)-2-cyclohexylmorpholin-4-yl]-N-(5-methyl-2-pyridinyl)-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)N2CCO[C@H](C3CCCCC3)C2)nc1
InChIInChI=1S/C18H25N3O3/c1-13-7-8-16(19-11-13)20-17(22)18(23)21-9-10-24-15(12-21)14-5-3-2-4-6-14/h7-8,11,14-15H,2-6,9-10,12H2,1H3,(H,19,20,22)/t15-/m0/s1
InChIKeyAEEWVGQNVIUBKX-HNNXBMFYSA-N
XLogP2.14
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-cyclohexylmorpholin-4-yl]-N-(5-methyl-2-pyridinyl)-2-oxoacetamide?
The IUPAC name of 2-[(2R)-2-cyclohexylmorpholin-4-yl]-N-(5-methyl-2-pyridinyl)-2-oxoacetamide (CID 164631346) is 2-[(2R)-2-cyclohexylmorpholin-4-yl]-N-(5-methyl-2-pyridinyl)-2-oxoacetamide.
What is the SMILES notation for 2-[(2R)-2-cyclohexylmorpholin-4-yl]-N-(5-methyl-2-pyridinyl)-2-oxoacetamide?
The canonical SMILES for 2-[(2R)-2-cyclohexylmorpholin-4-yl]-N-(5-methyl-2-pyridinyl)-2-oxoacetamide is Cc1ccc(NC(=O)C(=O)N2CCO[C@H](C3CCCCC3)C2)nc1.
What is the InChIKey of 2-[(2R)-2-cyclohexylmorpholin-4-yl]-N-(5-methyl-2-pyridinyl)-2-oxoacetamide?
The InChIKey is AEEWVGQNVIUBKX-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13-7-8-16(19-11-13)20-17(22)18(23)21-9-10-24-15(12-21)14-5-3-2-4-6-14/h7-8,11,14-15H,2-6,9-10,12H2,1H3,(H,19,20,22)/t15-/m0/s1.
What are the key properties of 2-[(2R)-2-cyclohexylmorpholin-4-yl]-N-(5-methyl-2-pyridinyl)-2-oxoacetamide?
2-[(2R)-2-cyclohexylmorpholin-4-yl]-N-(5-methyl-2-pyridinyl)-2-oxoacetamide has a molecular weight of 331.42 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-cyclohexylmorpholin-4-yl]-N-(5-methyl-2-pyridinyl)-2-oxoacetamide is sourced from PubChem (CID 164631346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).