[1-(4-acetamidoanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate

C16H20N2O4 — CID 24653655

IUPAC[1-(4-acetamidoanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate
SMILESCC(=O)Nc1ccc(NC(=O)C(C)OC(=O)C2CCC2)cc1
InChIInChI=1S/C16H20N2O4/c1-10(22-16(21)12-4-3-5-12)15(20)18-14-8-6-13(7-9-14)17-11(2)19/h6-10,12H,3-5H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyOFTAGMIWSIBLLN-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.32
Rot. Bonds5

About [1-(4-acetamidoanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate

[1-(4-acetamidoanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate (PubChem CID 24653655) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is [1-(4-acetamidoanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate.

Molecular Properties

Compound Name[1-(4-acetamidoanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate
PubChem CID24653655
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name[1-(4-acetamidoanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate
SMILESCC(=O)Nc1ccc(NC(=O)C(C)OC(=O)C2CCC2)cc1
InChIInChI=1S/C16H20N2O4/c1-10(22-16(21)12-4-3-5-12)15(20)18-14-8-6-13(7-9-14)17-11(2)19/h6-10,12H,3-5H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyOFTAGMIWSIBLLN-UHFFFAOYSA-N
XLogP2.32
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-acetamidoanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate?
The IUPAC name of [1-(4-acetamidoanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate (CID 24653655) is [1-(4-acetamidoanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate.
What is the SMILES notation for [1-(4-acetamidoanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate?
The canonical SMILES for [1-(4-acetamidoanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate is CC(=O)Nc1ccc(NC(=O)C(C)OC(=O)C2CCC2)cc1.
What is the InChIKey of [1-(4-acetamidoanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate?
The InChIKey is OFTAGMIWSIBLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-10(22-16(21)12-4-3-5-12)15(20)18-14-8-6-13(7-9-14)17-11(2)19/h6-10,12H,3-5H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of [1-(4-acetamidoanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate?
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate has a molecular weight of 304.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-acetamidoanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate is sourced from PubChem (CID 24653655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).