N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

C13H15NO4 — CID 7778280

IUPACN-(2-methoxy-5-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1=COCCO1
InChIInChI=1S/C13H15NO4/c1-9-3-4-11(16-2)10(7-9)14-13(15)12-8-17-5-6-18-12/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
InChIKeyMDBPNAJQKFXUHZ-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.83
Rot. Bonds3

About N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 7778280) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID7778280
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC NameN-(2-methoxy-5-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1=COCCO1
InChIInChI=1S/C13H15NO4/c1-9-3-4-11(16-2)10(7-9)14-13(15)12-8-17-5-6-18-12/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
InChIKeyMDBPNAJQKFXUHZ-UHFFFAOYSA-N
XLogP1.83
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-tert-butyl-2-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 7718762
N-(4-amino-3-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 61240817
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2583998
N-(2-methoxy-5-methylphenyl)-2,4,6-trimethylbenzamide
CID 19174112
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 37344996
4-methoxy-N-(2-methoxy-5-methylphenyl)benzamide
CID 2302629
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 113216860
ethane;(2-methoxy-5-methylphenyl)urea
CID 142042876
N-(2,5-difluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18170505
5-acetamido-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide
CID 110699937
N-(2-methoxy-5-methylphenyl)-2H-chromene-3-carboxamide
CID 17416535
N-(2-methoxy-5-methylphenyl)-5-nitrofuran-2-carboxamide
CID 878122

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 7778280) is N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is COc1ccc(C)cc1NC(=O)C1=COCCO1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is MDBPNAJQKFXUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-9-3-4-11(16-2)10(7-9)14-13(15)12-8-17-5-6-18-12/h3-4,7-8H,5-6H2,1-2H3,(H,14,15).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 7778280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).