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

C12H13NO4 — CID 16583129

IUPACN-(3-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCOc1cccc(NC(=O)C2=COCCO2)c1
InChIInChI=1S/C12H13NO4/c1-15-10-4-2-3-9(7-10)13-12(14)11-8-16-5-6-17-11/h2-4,7-8H,5-6H2,1H3,(H,13,14)
InChIKeyBXKXZYADWNZLSP-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.52
Rot. Bonds3

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

N-(3-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 16583129) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID16583129
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC NameN-(3-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCOc1cccc(NC(=O)C2=COCCO2)c1
InChIInChI=1S/C12H13NO4/c1-15-10-4-2-3-9(7-10)13-12(14)11-8-16-5-6-17-11/h2-4,7-8H,5-6H2,1H3,(H,13,14)
InChIKeyBXKXZYADWNZLSP-UHFFFAOYSA-N
XLogP1.52
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 16583129) is N-(3-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is COc1cccc(NC(=O)C2=COCCO2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is BXKXZYADWNZLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-15-10-4-2-3-9(7-10)13-12(14)11-8-16-5-6-17-11/h2-4,7-8H,5-6H2,1H3,(H,13,14).
What are the key properties of N-(3-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(3-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 235.24 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 16583129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).