4-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]benzamide

C16H21NO4 — CID 91121253

IUPAC4-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]benzamide
SMILESNC(=O)c1ccc(CC2(O)CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C16H21NO4/c17-14(18)13-3-1-12(2-4-13)11-15(19)5-7-16(8-6-15)20-9-10-21-16/h1-4,19H,5-11H2,(H2,17,18)
InChIKeyJIOBNWWFZDPTHH-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.38
Rot. Bonds3

About 4-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]benzamide

4-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]benzamide (PubChem CID 91121253) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]benzamide
PubChem CID91121253
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name4-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]benzamide
SMILESNC(=O)c1ccc(CC2(O)CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C16H21NO4/c17-14(18)13-3-1-12(2-4-13)11-15(19)5-7-16(8-6-15)20-9-10-21-16/h1-4,19H,5-11H2,(H2,17,18)
InChIKeyJIOBNWWFZDPTHH-UHFFFAOYSA-N
XLogP1.38
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]benzamide?
The IUPAC name of 4-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]benzamide (CID 91121253) is 4-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]benzamide.
What is the SMILES notation for 4-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]benzamide?
The canonical SMILES for 4-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]benzamide is NC(=O)c1ccc(CC2(O)CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 4-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]benzamide?
The InChIKey is JIOBNWWFZDPTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c17-14(18)13-3-1-12(2-4-13)11-15(19)5-7-16(8-6-15)20-9-10-21-16/h1-4,19H,5-11H2,(H2,17,18).
What are the key properties of 4-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]benzamide?
4-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]benzamide has a molecular weight of 291.35 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]benzamide is sourced from PubChem (CID 91121253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).