(1-anilino-1-oxopropan-2-yl) 3-cyclopentylpropanoate

C17H23NO3 — CID 118256643

IUPAC(1-anilino-1-oxopropan-2-yl) 3-cyclopentylpropanoate
SMILESCC(OC(=O)CCC1CCCC1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H23NO3/c1-13(17(20)18-15-9-3-2-4-10-15)21-16(19)12-11-14-7-5-6-8-14/h2-4,9-10,13-14H,5-8,11-12H2,1H3,(H,18,20)
InChIKeyMJWATIFJASFXFU-UHFFFAOYSA-N
MW289.37 g/mol
LogP3.53
Rot. Bonds6

About (1-anilino-1-oxopropan-2-yl) 3-cyclopentylpropanoate

(1-anilino-1-oxopropan-2-yl) 3-cyclopentylpropanoate (PubChem CID 118256643) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is (1-anilino-1-oxopropan-2-yl) 3-cyclopentylpropanoate.

Molecular Properties

Compound Name(1-anilino-1-oxopropan-2-yl) 3-cyclopentylpropanoate
PubChem CID118256643
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name(1-anilino-1-oxopropan-2-yl) 3-cyclopentylpropanoate
SMILESCC(OC(=O)CCC1CCCC1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H23NO3/c1-13(17(20)18-15-9-3-2-4-10-15)21-16(19)12-11-14-7-5-6-8-14/h2-4,9-10,13-14H,5-8,11-12H2,1H3,(H,18,20)
InChIKeyMJWATIFJASFXFU-UHFFFAOYSA-N
XLogP3.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-anilino-1-oxopropan-2-yl) 3-cyclopentylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-anilino-1-oxopropan-2-yl) 3-cyclopentylpropanoate?
The IUPAC name of (1-anilino-1-oxopropan-2-yl) 3-cyclopentylpropanoate (CID 118256643) is (1-anilino-1-oxopropan-2-yl) 3-cyclopentylpropanoate.
What is the SMILES notation for (1-anilino-1-oxopropan-2-yl) 3-cyclopentylpropanoate?
The canonical SMILES for (1-anilino-1-oxopropan-2-yl) 3-cyclopentylpropanoate is CC(OC(=O)CCC1CCCC1)C(=O)Nc1ccccc1.
What is the InChIKey of (1-anilino-1-oxopropan-2-yl) 3-cyclopentylpropanoate?
The InChIKey is MJWATIFJASFXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-13(17(20)18-15-9-3-2-4-10-15)21-16(19)12-11-14-7-5-6-8-14/h2-4,9-10,13-14H,5-8,11-12H2,1H3,(H,18,20).
What are the key properties of (1-anilino-1-oxopropan-2-yl) 3-cyclopentylpropanoate?
(1-anilino-1-oxopropan-2-yl) 3-cyclopentylpropanoate has a molecular weight of 289.37 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-anilino-1-oxopropan-2-yl) 3-cyclopentylpropanoate is sourced from PubChem (CID 118256643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).