[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-cyclopentylpropanoate

C19H26N2O4 — CID 24686146

IUPAC[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-cyclopentylpropanoate
SMILESCC(=O)Nc1ccc(NC(=O)C(C)OC(=O)CCC2CCCC2)cc1
InChIInChI=1S/C19H26N2O4/c1-13(25-18(23)12-7-15-5-3-4-6-15)19(24)21-17-10-8-16(9-11-17)20-14(2)22/h8-11,13,15H,3-7,12H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyBZSJYTWJXRHPDC-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.49
Rot. Bonds7

About [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-cyclopentylpropanoate

[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-cyclopentylpropanoate (PubChem CID 24686146) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-cyclopentylpropanoate.

Molecular Properties

Compound Name[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-cyclopentylpropanoate
PubChem CID24686146
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-cyclopentylpropanoate
SMILESCC(=O)Nc1ccc(NC(=O)C(C)OC(=O)CCC2CCCC2)cc1
InChIInChI=1S/C19H26N2O4/c1-13(25-18(23)12-7-15-5-3-4-6-15)19(24)21-17-10-8-16(9-11-17)20-14(2)22/h8-11,13,15H,3-7,12H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyBZSJYTWJXRHPDC-UHFFFAOYSA-N
XLogP3.49
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.49
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] 3-cyclopentylpropanoate?
The IUPAC name of [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-cyclopentylpropanoate (CID 24686146) is [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-cyclopentylpropanoate.
What is the SMILES notation for [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-cyclopentylpropanoate?
The canonical SMILES for [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-cyclopentylpropanoate is CC(=O)Nc1ccc(NC(=O)C(C)OC(=O)CCC2CCCC2)cc1.
What is the InChIKey of [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-cyclopentylpropanoate?
The InChIKey is BZSJYTWJXRHPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-13(25-18(23)12-7-15-5-3-4-6-15)19(24)21-17-10-8-16(9-11-17)20-14(2)22/h8-11,13,15H,3-7,12H2,1-2H3,(H,20,22)(H,21,24).
What are the key properties of [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-cyclopentylpropanoate?
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-cyclopentylpropanoate has a molecular weight of 346.43 g/mol, XLogP of 3.49, 7 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] 3-cyclopentylpropanoate is sourced from PubChem (CID 24686146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).