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

C17H22N2O4 — CID 24686237

IUPAC[1-(4-acetamidoanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
SMILESCC(=O)Nc1ccc(NC(=O)C(C)OC(=O)C2CCCC2)cc1
InChIInChI=1S/C17H22N2O4/c1-11(23-17(22)13-5-3-4-6-13)16(21)19-15-9-7-14(8-10-15)18-12(2)20/h7-11,13H,3-6H2,1-2H3,(H,18,20)(H,19,21)
InChIKeySBFFPNGQGPBDRM-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.71
Rot. Bonds5

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

[1-(4-acetamidoanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate (PubChem CID 24686237) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is [1-(4-acetamidoanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate.

Molecular Properties

Compound Name[1-(4-acetamidoanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
PubChem CID24686237
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name[1-(4-acetamidoanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
SMILESCC(=O)Nc1ccc(NC(=O)C(C)OC(=O)C2CCCC2)cc1
InChIInChI=1S/C17H22N2O4/c1-11(23-17(22)13-5-3-4-6-13)16(21)19-15-9-7-14(8-10-15)18-12(2)20/h7-11,13H,3-6H2,1-2H3,(H,18,20)(H,19,21)
InChIKeySBFFPNGQGPBDRM-UHFFFAOYSA-N
XLogP2.71
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.71
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] cyclopentanecarboxylate?
The IUPAC name of [1-(4-acetamidoanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate (CID 24686237) is [1-(4-acetamidoanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate.
What is the SMILES notation for [1-(4-acetamidoanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate?
The canonical SMILES for [1-(4-acetamidoanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate is CC(=O)Nc1ccc(NC(=O)C(C)OC(=O)C2CCCC2)cc1.
What is the InChIKey of [1-(4-acetamidoanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate?
The InChIKey is SBFFPNGQGPBDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-11(23-17(22)13-5-3-4-6-13)16(21)19-15-9-7-14(8-10-15)18-12(2)20/h7-11,13H,3-6H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of [1-(4-acetamidoanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate?
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate has a molecular weight of 318.37 g/mol, XLogP of 2.71, 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] cyclopentanecarboxylate is sourced from PubChem (CID 24686237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).