3-[6-[2-(1,4-dioxan-2-yl)ethoxy]naphthalen-2-yl]-N-methylbenzamide

C24H25NO4 — CID 175643969

IUPAC3-[6-[2-(1,4-dioxan-2-yl)ethoxy]naphthalen-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2ccc3cc(OCCC4COCCO4)ccc3c2)c1
InChIInChI=1S/C24H25NO4/c1-25-24(26)21-4-2-3-17(14-21)18-5-6-20-15-22(8-7-19(20)13-18)28-10-9-23-16-27-11-12-29-23/h2-8,13-15,23H,9-12,16H2,1H3,(H,25,26)
InChIKeyZVIONVBWDJCNDI-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.05
Rot. Bonds6

About 3-[6-[2-(1,4-dioxan-2-yl)ethoxy]naphthalen-2-yl]-N-methylbenzamide

3-[6-[2-(1,4-dioxan-2-yl)ethoxy]naphthalen-2-yl]-N-methylbenzamide (PubChem CID 175643969) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-[6-[2-(1,4-dioxan-2-yl)ethoxy]naphthalen-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[6-[2-(1,4-dioxan-2-yl)ethoxy]naphthalen-2-yl]-N-methylbenzamide
PubChem CID175643969
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name3-[6-[2-(1,4-dioxan-2-yl)ethoxy]naphthalen-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2ccc3cc(OCCC4COCCO4)ccc3c2)c1
InChIInChI=1S/C24H25NO4/c1-25-24(26)21-4-2-3-17(14-21)18-5-6-20-15-22(8-7-19(20)13-18)28-10-9-23-16-27-11-12-29-23/h2-8,13-15,23H,9-12,16H2,1H3,(H,25,26)
InChIKeyZVIONVBWDJCNDI-UHFFFAOYSA-N
XLogP4.05
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-[2-[(2R)-1,4-dioxan-2-yl]ethoxy]-2-fluorophenyl]acetate
CID 169157452
N-methyl-3-[6-[(1-methyl-6-oxopiperidin-3-yl)methoxy]naphthalen-2-yl]benzamide
CID 175646242
3-[6-(1,4-dioxan-2-ylmethoxy)naphthalen-2-yl]-1-methylpyrazole
CID 175643181
2-[2-[4-(trifluoromethylsulfonyl)phenoxy]ethyl]-1,4-dioxane
CID 166266733
6-(2-methoxyethoxymethoxy)-N-methylnaphthalene-2-carboxamide
CID 141090220
3-bromo-N-(1,4-dioxan-2-ylmethyl)benzamide
CID 54908965
N-(1,4-dioxan-2-ylmethyl)-3-sulfanylbenzamide
CID 107023717
3-[4-(hydroxymethyl)phenyl]-N-methylbenzamide
CID 172740220
2-(2-methoxyethoxy)-6-phenylnaphthalene
CID 139902348
[3-(methylcarbamoyl)phenyl] 3-(oxan-3-yl)propanoate
CID 102559005
3-[5-butoxy-2-(difluoromethoxy)phenyl]-N-methylbenzamide
CID 118446897
5-[2-(oxolan-2-yl)ethoxy]-1H-indole
CID 80643511

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-(1,4-dioxan-2-yl)ethoxy]naphthalen-2-yl]-N-methylbenzamide?
The IUPAC name of 3-[6-[2-(1,4-dioxan-2-yl)ethoxy]naphthalen-2-yl]-N-methylbenzamide (CID 175643969) is 3-[6-[2-(1,4-dioxan-2-yl)ethoxy]naphthalen-2-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[6-[2-(1,4-dioxan-2-yl)ethoxy]naphthalen-2-yl]-N-methylbenzamide?
The canonical SMILES for 3-[6-[2-(1,4-dioxan-2-yl)ethoxy]naphthalen-2-yl]-N-methylbenzamide is CNC(=O)c1cccc(-c2ccc3cc(OCCC4COCCO4)ccc3c2)c1.
What is the InChIKey of 3-[6-[2-(1,4-dioxan-2-yl)ethoxy]naphthalen-2-yl]-N-methylbenzamide?
The InChIKey is ZVIONVBWDJCNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-25-24(26)21-4-2-3-17(14-21)18-5-6-20-15-22(8-7-19(20)13-18)28-10-9-23-16-27-11-12-29-23/h2-8,13-15,23H,9-12,16H2,1H3,(H,25,26).
What are the key properties of 3-[6-[2-(1,4-dioxan-2-yl)ethoxy]naphthalen-2-yl]-N-methylbenzamide?
3-[6-[2-(1,4-dioxan-2-yl)ethoxy]naphthalen-2-yl]-N-methylbenzamide has a molecular weight of 391.47 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-(1,4-dioxan-2-yl)ethoxy]naphthalen-2-yl]-N-methylbenzamide is sourced from PubChem (CID 175643969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).