[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate

C21H23NO4 — CID 4791857

IUPAC[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate
SMILESCC(OC(=O)c1ccccc1Oc1ccccc1)C(=O)NC1CCCC1
InChIInChI=1S/C21H23NO4/c1-15(20(23)22-16-9-5-6-10-16)25-21(24)18-13-7-8-14-19(18)26-17-11-3-2-4-12-17/h2-4,7-8,11-16H,5-6,9-10H2,1H3,(H,22,23)
InChIKeyJJRSYKMDJBHTPT-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.08
Rot. Bonds6

About [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate

[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate (PubChem CID 4791857) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate.

Molecular Properties

Compound Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate
PubChem CID4791857
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate
SMILESCC(OC(=O)c1ccccc1Oc1ccccc1)C(=O)NC1CCCC1
InChIInChI=1S/C21H23NO4/c1-15(20(23)22-16-9-5-6-10-16)25-21(24)18-13-7-8-14-19(18)26-17-11-3-2-4-12-17/h2-4,7-8,11-16H,5-6,9-10H2,1H3,(H,22,23)
InChIKeyJJRSYKMDJBHTPT-UHFFFAOYSA-N
XLogP4.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate with MolForge

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

Launch Full Analysis

Related Compounds

[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 40730891
[(2S)-1-anilino-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 2498436
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-fluorobenzoate
CID 7508641
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-iodobenzoate
CID 3463336
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate
CID 7985171
[1-(cyclohexylamino)-1-oxopropan-2-yl] benzoate
CID 42902121
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 7760772
[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 24530551
[(2S)-1-amino-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 2498474
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-phenoxybenzoate
CID 7950325
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate
CID 46815266

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate?
The IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate (CID 4791857) is [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate.
What is the SMILES notation for [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate?
The canonical SMILES for [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate is CC(OC(=O)c1ccccc1Oc1ccccc1)C(=O)NC1CCCC1.
What is the InChIKey of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate?
The InChIKey is JJRSYKMDJBHTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-15(20(23)22-16-9-5-6-10-16)25-21(24)18-13-7-8-14-19(18)26-17-11-3-2-4-12-17/h2-4,7-8,11-16H,5-6,9-10H2,1H3,(H,22,23).
What are the key properties of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate?
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate has a molecular weight of 353.42 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate is sourced from PubChem (CID 4791857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).