N-[5,8-dihydroxy-2-(2-methyl-1,3-dioxan-2-yl)-3,4-dihydro-1H-naphthalen-2-yl]acetamide

C17H23NO5 — CID 139915146

IUPACN-[5,8-dihydroxy-2-(2-methyl-1,3-dioxan-2-yl)-3,4-dihydro-1H-naphthalen-2-yl]acetamide
SMILESCC(=O)NC1(C2(C)OCCCO2)CCc2c(O)ccc(O)c2C1
InChIInChI=1S/C17H23NO5/c1-11(19)18-17(16(2)22-8-3-9-23-16)7-6-12-13(10-17)15(21)5-4-14(12)20/h4-5,20-21H,3,6-10H2,1-2H3,(H,18,19)
InChIKeyZDFVUDXAWOMMLP-UHFFFAOYSA-N
MW321.37 g/mol
LogP1.61
Rot. Bonds2

About N-[5,8-dihydroxy-2-(2-methyl-1,3-dioxan-2-yl)-3,4-dihydro-1H-naphthalen-2-yl]acetamide

N-[5,8-dihydroxy-2-(2-methyl-1,3-dioxan-2-yl)-3,4-dihydro-1H-naphthalen-2-yl]acetamide (PubChem CID 139915146) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is N-[5,8-dihydroxy-2-(2-methyl-1,3-dioxan-2-yl)-3,4-dihydro-1H-naphthalen-2-yl]acetamide.

Molecular Properties

Compound NameN-[5,8-dihydroxy-2-(2-methyl-1,3-dioxan-2-yl)-3,4-dihydro-1H-naphthalen-2-yl]acetamide
PubChem CID139915146
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC NameN-[5,8-dihydroxy-2-(2-methyl-1,3-dioxan-2-yl)-3,4-dihydro-1H-naphthalen-2-yl]acetamide
SMILESCC(=O)NC1(C2(C)OCCCO2)CCc2c(O)ccc(O)c2C1
InChIInChI=1S/C17H23NO5/c1-11(19)18-17(16(2)22-8-3-9-23-16)7-6-12-13(10-17)15(21)5-4-14(12)20/h4-5,20-21H,3,6-10H2,1-2H3,(H,18,19)
InChIKeyZDFVUDXAWOMMLP-UHFFFAOYSA-N
XLogP1.61
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5,8-dihydroxy-2-(2-methyl-1,3-dioxan-2-yl)-3,4-dihydro-1H-naphthalen-2-yl]acetamide?
The IUPAC name of N-[5,8-dihydroxy-2-(2-methyl-1,3-dioxan-2-yl)-3,4-dihydro-1H-naphthalen-2-yl]acetamide (CID 139915146) is N-[5,8-dihydroxy-2-(2-methyl-1,3-dioxan-2-yl)-3,4-dihydro-1H-naphthalen-2-yl]acetamide.
What is the SMILES notation for N-[5,8-dihydroxy-2-(2-methyl-1,3-dioxan-2-yl)-3,4-dihydro-1H-naphthalen-2-yl]acetamide?
The canonical SMILES for N-[5,8-dihydroxy-2-(2-methyl-1,3-dioxan-2-yl)-3,4-dihydro-1H-naphthalen-2-yl]acetamide is CC(=O)NC1(C2(C)OCCCO2)CCc2c(O)ccc(O)c2C1.
What is the InChIKey of N-[5,8-dihydroxy-2-(2-methyl-1,3-dioxan-2-yl)-3,4-dihydro-1H-naphthalen-2-yl]acetamide?
The InChIKey is ZDFVUDXAWOMMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5/c1-11(19)18-17(16(2)22-8-3-9-23-16)7-6-12-13(10-17)15(21)5-4-14(12)20/h4-5,20-21H,3,6-10H2,1-2H3,(H,18,19).
What are the key properties of N-[5,8-dihydroxy-2-(2-methyl-1,3-dioxan-2-yl)-3,4-dihydro-1H-naphthalen-2-yl]acetamide?
N-[5,8-dihydroxy-2-(2-methyl-1,3-dioxan-2-yl)-3,4-dihydro-1H-naphthalen-2-yl]acetamide has a molecular weight of 321.37 g/mol, XLogP of 1.61, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,8-dihydroxy-2-(2-methyl-1,3-dioxan-2-yl)-3,4-dihydro-1H-naphthalen-2-yl]acetamide is sourced from PubChem (CID 139915146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).