3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide

C18H27NO4 — CID 44715241

IUPAC3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide
SMILESCC(C)CC(CO)NC(=O)CC(O)CC(=O)Cc1ccccc1
InChIInChI=1S/C18H27NO4/c1-13(2)8-15(12-20)19-18(23)11-17(22)10-16(21)9-14-6-4-3-5-7-14/h3-7,13,15,17,20,22H,8-12H2,1-2H3,(H,19,23)
InChIKeyAZUKRZGSIRBRCH-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.46
Rot. Bonds10

About 3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide

3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide (PubChem CID 44715241) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide.

Molecular Properties

Compound Name3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide
PubChem CID44715241
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Name3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide
SMILESCC(C)CC(CO)NC(=O)CC(O)CC(=O)Cc1ccccc1
InChIInChI=1S/C18H27NO4/c1-13(2)8-15(12-20)19-18(23)11-17(22)10-16(21)9-14-6-4-3-5-7-14/h3-7,13,15,17,20,22H,8-12H2,1-2H3,(H,19,23)
InChIKeyAZUKRZGSIRBRCH-UHFFFAOYSA-N
XLogP1.46
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide?
The IUPAC name of 3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide (CID 44715241) is 3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide.
What is the SMILES notation for 3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide?
The canonical SMILES for 3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide is CC(C)CC(CO)NC(=O)CC(O)CC(=O)Cc1ccccc1.
What is the InChIKey of 3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide?
The InChIKey is AZUKRZGSIRBRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4/c1-13(2)8-15(12-20)19-18(23)11-17(22)10-16(21)9-14-6-4-3-5-7-14/h3-7,13,15,17,20,22H,8-12H2,1-2H3,(H,19,23).
What are the key properties of 3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide?
3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide has a molecular weight of 321.42 g/mol, XLogP of 1.46, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide is sourced from PubChem (CID 44715241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).