5-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-2-oxo-1,3-dioxane-5-carboxamide

C20H23NO5 — CID 100778906

IUPAC5-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-2-oxo-1,3-dioxane-5-carboxamide
SMILESCC(C)COc1ccc(NC(=O)C2(C)COC(=O)OC2)c2ccccc12
InChIInChI=1S/C20H23NO5/c1-13(2)10-24-17-9-8-16(14-6-4-5-7-15(14)17)21-18(22)20(3)11-25-19(23)26-12-20/h4-9,13H,10-12H2,1-3H3,(H,21,22)
InChIKeyXEBRQKBMFGSZHH-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.99
Rot. Bonds5

About 5-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-2-oxo-1,3-dioxane-5-carboxamide

5-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-2-oxo-1,3-dioxane-5-carboxamide (PubChem CID 100778906) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-2-oxo-1,3-dioxane-5-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-2-oxo-1,3-dioxane-5-carboxamide
PubChem CID100778906
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name5-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-2-oxo-1,3-dioxane-5-carboxamide
SMILESCC(C)COc1ccc(NC(=O)C2(C)COC(=O)OC2)c2ccccc12
InChIInChI=1S/C20H23NO5/c1-13(2)10-24-17-9-8-16(14-6-4-5-7-15(14)17)21-18(22)20(3)11-25-19(23)26-12-20/h4-9,13H,10-12H2,1-3H3,(H,21,22)
InChIKeyXEBRQKBMFGSZHH-UHFFFAOYSA-N
XLogP3.99
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenyl)-5-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-1,3-dioxane-5-carboxamide
CID 100779818
N-[4-(2-methylpropoxy)naphthalen-1-yl]-1-phenylcyclopentane-1-carboxamide
CID 100719168
1-(4-chlorophenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopropane-1-carboxamide
CID 100782430
1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopentane-1-carboxamide
CID 100782956
2-methoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]propanamide
CID 100752413
1-(4-methoxyphenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide
CID 100747706
5-methyl-2-phenyl-N-(4-prop-2-enoxynaphthalen-1-yl)-1,3-dioxane-5-carboxamide
CID 100779046
trans-(1R,3S)-1-ethoxy-3-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide
CID 100762995
5-methyl-N-(4-prop-2-enoxynaphthalen-1-yl)-2-thiophen-2-yl-1,3-dioxane-5-carboxamide
CID 100780007
3-methyl-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-3-carboxamide
CID 63140356
(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]pentanamide
CID 100760364
(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]hexanamide
CID 100761072

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-2-oxo-1,3-dioxane-5-carboxamide?
The IUPAC name of 5-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-2-oxo-1,3-dioxane-5-carboxamide (CID 100778906) is 5-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-2-oxo-1,3-dioxane-5-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-2-oxo-1,3-dioxane-5-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-2-oxo-1,3-dioxane-5-carboxamide is CC(C)COc1ccc(NC(=O)C2(C)COC(=O)OC2)c2ccccc12.
What is the InChIKey of 5-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-2-oxo-1,3-dioxane-5-carboxamide?
The InChIKey is XEBRQKBMFGSZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-13(2)10-24-17-9-8-16(14-6-4-5-7-15(14)17)21-18(22)20(3)11-25-19(23)26-12-20/h4-9,13H,10-12H2,1-3H3,(H,21,22).
What are the key properties of 5-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-2-oxo-1,3-dioxane-5-carboxamide?
5-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-2-oxo-1,3-dioxane-5-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-2-oxo-1,3-dioxane-5-carboxamide is sourced from PubChem (CID 100778906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).