N-[3-(diethylcarbamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

C16H20N2O4 — CID 9441134

IUPACN-[3-(diethylcarbamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)C2=COCCO2)c1
InChIInChI=1S/C16H20N2O4/c1-3-18(4-2)16(20)12-6-5-7-13(10-12)17-15(19)14-11-21-8-9-22-14/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,17,19)
InChIKeyBJEWNGRJXUVLGH-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.00
Rot. Bonds5

About N-[3-(diethylcarbamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

N-[3-(diethylcarbamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 9441134) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[3-(diethylcarbamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylcarbamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID9441134
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC NameN-[3-(diethylcarbamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)C2=COCCO2)c1
InChIInChI=1S/C16H20N2O4/c1-3-18(4-2)16(20)12-6-5-7-13(10-12)17-15(19)14-11-21-8-9-22-14/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,17,19)
InChIKeyBJEWNGRJXUVLGH-UHFFFAOYSA-N
XLogP2.00
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 9441134) is N-[3-(diethylcarbamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[3-(diethylcarbamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[3-(diethylcarbamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is CCN(CC)C(=O)c1cccc(NC(=O)C2=COCCO2)c1.
What is the InChIKey of N-[3-(diethylcarbamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is BJEWNGRJXUVLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-3-18(4-2)16(20)12-6-5-7-13(10-12)17-15(19)14-11-21-8-9-22-14/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,17,19).
What are the key properties of N-[3-(diethylcarbamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[3-(diethylcarbamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylcarbamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 9441134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).