ethyl 3-(3-cyclopentylpropanoylamino)benzoate

C17H23NO3 — CID 837279

IUPACethyl 3-(3-cyclopentylpropanoylamino)benzoate
SMILESCCOC(=O)c1cccc(NC(=O)CCC2CCCC2)c1
InChIInChI=1S/C17H23NO3/c1-2-21-17(20)14-8-5-9-15(12-14)18-16(19)11-10-13-6-3-4-7-13/h5,8-9,12-13H,2-4,6-7,10-11H2,1H3,(H,18,19)
InChIKeyODHYXGRCEDCIGG-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.77
Rot. Bonds6

About ethyl 3-(3-cyclopentylpropanoylamino)benzoate

ethyl 3-(3-cyclopentylpropanoylamino)benzoate (PubChem CID 837279) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is ethyl 3-(3-cyclopentylpropanoylamino)benzoate.

Molecular Properties

Compound Nameethyl 3-(3-cyclopentylpropanoylamino)benzoate
PubChem CID837279
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Nameethyl 3-(3-cyclopentylpropanoylamino)benzoate
SMILESCCOC(=O)c1cccc(NC(=O)CCC2CCCC2)c1
InChIInChI=1S/C17H23NO3/c1-2-21-17(20)14-8-5-9-15(12-14)18-16(19)11-10-13-6-3-4-7-13/h5,8-9,12-13H,2-4,6-7,10-11H2,1H3,(H,18,19)
InChIKeyODHYXGRCEDCIGG-UHFFFAOYSA-N
XLogP3.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(cyclopentylmethylamino)benzoate
CID 62070865
3-cyclohexyl-N-[3-(propanoylamino)phenyl]propanamide
CID 46568170
ethyl 3-[[2-(cyclopropylamino)acetyl]amino]benzoate
CID 61260799
ethyl 3-(4-hydroxybutanoylamino)benzoate
CID 79192155
3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]benzoic acid
CID 75429242
ethyl 3-(4-aminobutanoylamino)benzoate;hydrochloride
CID 119272979
ethyl (6R)-6-[3-(3-cyclopentylpropanoylamino)phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 7337798
ethyl 3-(3-oxobutanoylamino)benzoate
CID 18072873
ethyl 3-[4-(propan-2-ylamino)butanoylamino]benzoate
CID 61260963
ethyl 3-acetamidobenzoate
CID 700589
ethyl 3-[4-(methylamino)butanoylamino]benzoate;hydrochloride
CID 119692734
ethyl 3-(cyclobutylcarbamoylamino)benzoate
CID 3737149

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-cyclopentylpropanoylamino)benzoate?
The IUPAC name of ethyl 3-(3-cyclopentylpropanoylamino)benzoate (CID 837279) is ethyl 3-(3-cyclopentylpropanoylamino)benzoate.
What is the SMILES notation for ethyl 3-(3-cyclopentylpropanoylamino)benzoate?
The canonical SMILES for ethyl 3-(3-cyclopentylpropanoylamino)benzoate is CCOC(=O)c1cccc(NC(=O)CCC2CCCC2)c1.
What is the InChIKey of ethyl 3-(3-cyclopentylpropanoylamino)benzoate?
The InChIKey is ODHYXGRCEDCIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-21-17(20)14-8-5-9-15(12-14)18-16(19)11-10-13-6-3-4-7-13/h5,8-9,12-13H,2-4,6-7,10-11H2,1H3,(H,18,19).
What are the key properties of ethyl 3-(3-cyclopentylpropanoylamino)benzoate?
ethyl 3-(3-cyclopentylpropanoylamino)benzoate has a molecular weight of 289.38 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-cyclopentylpropanoylamino)benzoate is sourced from PubChem (CID 837279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).