[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylbenzoate

C20H21NO3 — CID 18198888

IUPAC[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)OC(C(=O)NC2CC2)c2ccccc2)cc1
InChIInChI=1S/C20H21NO3/c1-2-14-8-10-16(11-9-14)20(23)24-18(15-6-4-3-5-7-15)19(22)21-17-12-13-17/h3-11,17-18H,2,12-13H2,1H3,(H,21,22)
InChIKeyOCPROZCZSAECKX-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.43
Rot. Bonds6

About [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylbenzoate

[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylbenzoate (PubChem CID 18198888) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylbenzoate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylbenzoate
PubChem CID18198888
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)OC(C(=O)NC2CC2)c2ccccc2)cc1
InChIInChI=1S/C20H21NO3/c1-2-14-8-10-16(11-9-14)20(23)24-18(15-6-4-3-5-7-15)19(22)21-17-12-13-17/h3-11,17-18H,2,12-13H2,1H3,(H,21,22)
InChIKeyOCPROZCZSAECKX-UHFFFAOYSA-N
XLogP3.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(acetamidomethyl)benzoate
CID 39967455
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(ethylsulfamoyl)benzoate
CID 8641481
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(trifluoromethyl)benzoate
CID 9415143
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethoxy-3-methoxybenzoate
CID 8600938
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate
CID 18149699
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-ethylsulfanylbenzoate
CID 8722117
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate
CID 46824904
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] quinoxaline-6-carboxylate
CID 47009412
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylthiadiazole-5-carboxylate
CID 78719257
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(S)-methylsulfinyl]benzoate
CID 11927503
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(1,2,4-triazol-1-yl)benzoate
CID 47009369
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 55390148

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylbenzoate?
The IUPAC name of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylbenzoate (CID 18198888) is [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylbenzoate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylbenzoate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylbenzoate is CCc1ccc(C(=O)OC(C(=O)NC2CC2)c2ccccc2)cc1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylbenzoate?
The InChIKey is OCPROZCZSAECKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-2-14-8-10-16(11-9-14)20(23)24-18(15-6-4-3-5-7-15)19(22)21-17-12-13-17/h3-11,17-18H,2,12-13H2,1H3,(H,21,22).
What are the key properties of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylbenzoate?
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylbenzoate has a molecular weight of 323.39 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylbenzoate is sourced from PubChem (CID 18198888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).