ethyl 2-[[3-oxo-3-(2-phenylethylamino)propyl]amino]benzoate

C20H24N2O3 — CID 109024225

IUPACethyl 2-[[3-oxo-3-(2-phenylethylamino)propyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NCCC(=O)NCCc1ccccc1
InChIInChI=1S/C20H24N2O3/c1-2-25-20(24)17-10-6-7-11-18(17)21-15-13-19(23)22-14-12-16-8-4-3-5-9-16/h3-11,21H,2,12-15H2,1H3,(H,22,23)
InChIKeyMOEZGEFXJIKWKU-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.02
Rot. Bonds9

About ethyl 2-[[3-oxo-3-(2-phenylethylamino)propyl]amino]benzoate

ethyl 2-[[3-oxo-3-(2-phenylethylamino)propyl]amino]benzoate (PubChem CID 109024225) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is ethyl 2-[[3-oxo-3-(2-phenylethylamino)propyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[3-oxo-3-(2-phenylethylamino)propyl]amino]benzoate
PubChem CID109024225
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Nameethyl 2-[[3-oxo-3-(2-phenylethylamino)propyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NCCC(=O)NCCc1ccccc1
InChIInChI=1S/C20H24N2O3/c1-2-25-20(24)17-10-6-7-11-18(17)21-15-13-19(23)22-14-12-16-8-4-3-5-9-16/h3-11,21H,2,12-15H2,1H3,(H,22,23)
InChIKeyMOEZGEFXJIKWKU-UHFFFAOYSA-N
XLogP3.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxopropyl]amino]benzoate
CID 109014793
ethyl 2-[[2-(2-phenylethylamino)acetyl]amino]benzoate
CID 108999964
methyl 2-[[3-(2-ethoxycarbonylanilino)-3-oxopropyl]amino]benzoate
CID 109041371
ethyl 2-(propylamino)benzoate
CID 15662762
ethyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate
CID 72946782
ethyl 2-(2-pyridin-3-ylethylcarbamoylamino)benzoate
CID 4996691
ethyl 2-[[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108948749
3-(4-bromo-2-methylanilino)-N-(2-phenylethyl)propanamide
CID 109024204
ethyl 2-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]benzoate
CID 109017613
methyl 2-(2-phenylethylcarbamoylamino)benzoate
CID 3813760
ethyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzoate
CID 108994192
N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylanilino)propanamide
CID 109027923

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-oxo-3-(2-phenylethylamino)propyl]amino]benzoate?
The IUPAC name of ethyl 2-[[3-oxo-3-(2-phenylethylamino)propyl]amino]benzoate (CID 109024225) is ethyl 2-[[3-oxo-3-(2-phenylethylamino)propyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[3-oxo-3-(2-phenylethylamino)propyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[3-oxo-3-(2-phenylethylamino)propyl]amino]benzoate is CCOC(=O)c1ccccc1NCCC(=O)NCCc1ccccc1.
What is the InChIKey of ethyl 2-[[3-oxo-3-(2-phenylethylamino)propyl]amino]benzoate?
The InChIKey is MOEZGEFXJIKWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-2-25-20(24)17-10-6-7-11-18(17)21-15-13-19(23)22-14-12-16-8-4-3-5-9-16/h3-11,21H,2,12-15H2,1H3,(H,22,23).
What are the key properties of ethyl 2-[[3-oxo-3-(2-phenylethylamino)propyl]amino]benzoate?
ethyl 2-[[3-oxo-3-(2-phenylethylamino)propyl]amino]benzoate has a molecular weight of 340.42 g/mol, XLogP of 3.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-oxo-3-(2-phenylethylamino)propyl]amino]benzoate is sourced from PubChem (CID 109024225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).