4-(2,4-dimethylpentan-2-yloxy)-2,2-dimethyl-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide

C19H39NO7 — CID 177057712

IUPAC4-(2,4-dimethylpentan-2-yloxy)-2,2-dimethyl-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide
SMILESCC(C)CC(C)(C)OCCC(C)(C)C(=O)NCC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C19H39NO7/c1-12(2)9-19(5,6)27-8-7-18(3,4)17(26)20-10-13(22)15(24)16(25)14(23)11-21/h12-16,21-25H,7-11H2,1-6H3,(H,20,26)
InChIKeyHWDDQXSQMFKWGT-UHFFFAOYSA-N
MW393.52 g/mol
LogP-0.20
Rot. Bonds13

About 4-(2,4-dimethylpentan-2-yloxy)-2,2-dimethyl-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide

4-(2,4-dimethylpentan-2-yloxy)-2,2-dimethyl-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide (PubChem CID 177057712) has the molecular formula C19H39NO7 and a molecular weight of 393.52 g/mol. Its IUPAC name is 4-(2,4-dimethylpentan-2-yloxy)-2,2-dimethyl-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide.

Molecular Properties

Compound Name4-(2,4-dimethylpentan-2-yloxy)-2,2-dimethyl-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide
PubChem CID177057712
Molecular FormulaC19H39NO7
Molecular Weight393.52 g/mol
Exact Mass393.27
IUPAC Name4-(2,4-dimethylpentan-2-yloxy)-2,2-dimethyl-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide
SMILESCC(C)CC(C)(C)OCCC(C)(C)C(=O)NCC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C19H39NO7/c1-12(2)9-19(5,6)27-8-7-18(3,4)17(26)20-10-13(22)15(24)16(25)14(23)11-21/h12-16,21-25H,7-11H2,1-6H3,(H,20,26)
InChIKeyHWDDQXSQMFKWGT-UHFFFAOYSA-N
XLogP-0.20
TPSA139.48 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.52
LogP ≤ 5-0.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylpentan-2-yloxy)-2,2-dimethyl-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide?
The IUPAC name of 4-(2,4-dimethylpentan-2-yloxy)-2,2-dimethyl-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide (CID 177057712) is 4-(2,4-dimethylpentan-2-yloxy)-2,2-dimethyl-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide.
What is the SMILES notation for 4-(2,4-dimethylpentan-2-yloxy)-2,2-dimethyl-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide?
The canonical SMILES for 4-(2,4-dimethylpentan-2-yloxy)-2,2-dimethyl-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide is CC(C)CC(C)(C)OCCC(C)(C)C(=O)NCC(O)C(O)C(O)C(O)CO.
What is the InChIKey of 4-(2,4-dimethylpentan-2-yloxy)-2,2-dimethyl-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide?
The InChIKey is HWDDQXSQMFKWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO7/c1-12(2)9-19(5,6)27-8-7-18(3,4)17(26)20-10-13(22)15(24)16(25)14(23)11-21/h12-16,21-25H,7-11H2,1-6H3,(H,20,26).
What are the key properties of 4-(2,4-dimethylpentan-2-yloxy)-2,2-dimethyl-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide?
4-(2,4-dimethylpentan-2-yloxy)-2,2-dimethyl-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide has a molecular weight of 393.52 g/mol, XLogP of -0.20, 13 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylpentan-2-yloxy)-2,2-dimethyl-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide is sourced from PubChem (CID 177057712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).