5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(3-methylbutyl)-1H-imidazole-4-carboxamide

C16H26N4O3 — CID 46264405

IUPAC5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(3-methylbutyl)-1H-imidazole-4-carboxamide
SMILESCC(C)CCNC(=O)c1nc[nH]c1C(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C16H26N4O3/c1-10(2)5-6-17-15(21)13-14(19-9-18-13)16(22)20-7-11(3)23-12(4)8-20/h9-12H,5-8H2,1-4H3,(H,17,21)(H,18,19)/t11-,12+
InChIKeyUOFYOWNLFFZYSE-TXEJJXNPSA-N
MW322.41 g/mol
LogP1.43
Rot. Bonds5

About 5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(3-methylbutyl)-1H-imidazole-4-carboxamide

5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(3-methylbutyl)-1H-imidazole-4-carboxamide (PubChem CID 46264405) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(3-methylbutyl)-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(3-methylbutyl)-1H-imidazole-4-carboxamide
PubChem CID46264405
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(3-methylbutyl)-1H-imidazole-4-carboxamide
SMILESCC(C)CCNC(=O)c1nc[nH]c1C(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C16H26N4O3/c1-10(2)5-6-17-15(21)13-14(19-9-18-13)16(22)20-7-11(3)23-12(4)8-20/h9-12H,5-8H2,1-4H3,(H,17,21)(H,18,19)/t11-,12+
InChIKeyUOFYOWNLFFZYSE-TXEJJXNPSA-N
XLogP1.43
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(3-methylbutyl)-1H-imidazole-4-carboxamide?
The IUPAC name of 5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(3-methylbutyl)-1H-imidazole-4-carboxamide (CID 46264405) is 5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(3-methylbutyl)-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(3-methylbutyl)-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(3-methylbutyl)-1H-imidazole-4-carboxamide is CC(C)CCNC(=O)c1nc[nH]c1C(=O)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(3-methylbutyl)-1H-imidazole-4-carboxamide?
The InChIKey is UOFYOWNLFFZYSE-TXEJJXNPSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-10(2)5-6-17-15(21)13-14(19-9-18-13)16(22)20-7-11(3)23-12(4)8-20/h9-12H,5-8H2,1-4H3,(H,17,21)(H,18,19)/t11-,12+.
What are the key properties of 5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(3-methylbutyl)-1H-imidazole-4-carboxamide?
5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(3-methylbutyl)-1H-imidazole-4-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(3-methylbutyl)-1H-imidazole-4-carboxamide is sourced from PubChem (CID 46264405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).