[2-(3-acetamidoanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate

C15H16N2O6 — CID 7825491

IUPAC[2-(3-acetamidoanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
SMILESCC(=O)Nc1cccc(NC(=O)COC(=O)C2=COCCO2)c1
InChIInChI=1S/C15H16N2O6/c1-10(18)16-11-3-2-4-12(7-11)17-14(19)9-23-15(20)13-8-21-5-6-22-13/h2-4,7-8H,5-6,9H2,1H3,(H,16,18)(H,17,19)
InChIKeyYLDSQCASHQZFBZ-UHFFFAOYSA-N
MW320.30 g/mol
LogP1.01
Rot. Bonds5

About [2-(3-acetamidoanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate

[2-(3-acetamidoanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate (PubChem CID 7825491) has the molecular formula C15H16N2O6 and a molecular weight of 320.30 g/mol. Its IUPAC name is [2-(3-acetamidoanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate.

Molecular Properties

Compound Name[2-(3-acetamidoanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
PubChem CID7825491
Molecular FormulaC15H16N2O6
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC Name[2-(3-acetamidoanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
SMILESCC(=O)Nc1cccc(NC(=O)COC(=O)C2=COCCO2)c1
InChIInChI=1S/C15H16N2O6/c1-10(18)16-11-3-2-4-12(7-11)17-14(19)9-23-15(20)13-8-21-5-6-22-13/h2-4,7-8H,5-6,9H2,1H3,(H,16,18)(H,17,19)
InChIKeyYLDSQCASHQZFBZ-UHFFFAOYSA-N
XLogP1.01
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,6-difluoroanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 8763367
[2-(4-cyanoanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2353609
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 3-acetamidobenzoate
CID 2581774
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2583998
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 7395510
[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582447
[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582150
[2-(benzhydrylamino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2353435
[2-(3-acetamidoanilino)-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-6-carboxylate
CID 138041946
[2-(3-acetamidoanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 7863201
[2-(3-acetamidoanilino)-2-oxoethyl] 3-fluorobenzoate
CID 8611978
[2-(3-acetamidoanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 8524816

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetamidoanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate?
The IUPAC name of [2-(3-acetamidoanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate (CID 7825491) is [2-(3-acetamidoanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate.
What is the SMILES notation for [2-(3-acetamidoanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate?
The canonical SMILES for [2-(3-acetamidoanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate is CC(=O)Nc1cccc(NC(=O)COC(=O)C2=COCCO2)c1.
What is the InChIKey of [2-(3-acetamidoanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate?
The InChIKey is YLDSQCASHQZFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O6/c1-10(18)16-11-3-2-4-12(7-11)17-14(19)9-23-15(20)13-8-21-5-6-22-13/h2-4,7-8H,5-6,9H2,1H3,(H,16,18)(H,17,19).
What are the key properties of [2-(3-acetamidoanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate?
[2-(3-acetamidoanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate has a molecular weight of 320.30 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetamidoanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate is sourced from PubChem (CID 7825491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).