ethyl 2-[1-(4-methylphenyl)ethylamino]benzoate

C18H21NO2 — CID 43322188

IUPACethyl 2-[1-(4-methylphenyl)ethylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(C)c1ccc(C)cc1
InChIInChI=1S/C18H21NO2/c1-4-21-18(20)16-7-5-6-8-17(16)19-14(3)15-11-9-13(2)10-12-15/h5-12,14,19H,4H2,1-3H3
InChIKeyYDYBRZSTGLWQLA-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.34
Rot. Bonds5

About ethyl 2-[1-(4-methylphenyl)ethylamino]benzoate

ethyl 2-[1-(4-methylphenyl)ethylamino]benzoate (PubChem CID 43322188) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is ethyl 2-[1-(4-methylphenyl)ethylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-[1-(4-methylphenyl)ethylamino]benzoate
PubChem CID43322188
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Nameethyl 2-[1-(4-methylphenyl)ethylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(C)c1ccc(C)cc1
InChIInChI=1S/C18H21NO2/c1-4-21-18(20)16-7-5-6-8-17(16)19-14(3)15-11-9-13(2)10-12-15/h5-12,14,19H,4H2,1-3H3
InChIKeyYDYBRZSTGLWQLA-UHFFFAOYSA-N
XLogP4.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(1-phenylethylamino)benzoate;hydrochloride
CID 172883208
methyl 2-[1-(4-methylphenyl)ethylamino]benzoate
CID 43322026
ethyl 2-[(3-hydroxy-3-methylbutan-2-yl)amino]benzoate
CID 65333022
ethyl 2-(1-phenylpropylamino)benzoate
CID 43322187
ethyl 2-(hexan-2-ylamino)benzoate
CID 43774647
ethyl 2-[[(2S)-1-oxo-1-propoxypropan-2-yl]amino]benzoate
CID 69454696
ethyl 2-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzoate
CID 108997359
ethyl 2-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzoate
CID 126115639
ethyl 2-[[6-(1-phenylethylamino)pyridazine-3-carbonyl]amino]benzoate
CID 109118806
2-methyl-3-[1-(4-methylphenyl)ethylamino]benzoic acid
CID 43737323
methyl 2-[1-(3,5-dihydroxyphenyl)ethylamino]benzoate
CID 107705419
ethyl 2-[[5-(1-phenylethylamino)-1,2,4-triazin-3-yl]amino]benzoate
CID 112949030

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(4-methylphenyl)ethylamino]benzoate?
The IUPAC name of ethyl 2-[1-(4-methylphenyl)ethylamino]benzoate (CID 43322188) is ethyl 2-[1-(4-methylphenyl)ethylamino]benzoate.
What is the SMILES notation for ethyl 2-[1-(4-methylphenyl)ethylamino]benzoate?
The canonical SMILES for ethyl 2-[1-(4-methylphenyl)ethylamino]benzoate is CCOC(=O)c1ccccc1NC(C)c1ccc(C)cc1.
What is the InChIKey of ethyl 2-[1-(4-methylphenyl)ethylamino]benzoate?
The InChIKey is YDYBRZSTGLWQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-4-21-18(20)16-7-5-6-8-17(16)19-14(3)15-11-9-13(2)10-12-15/h5-12,14,19H,4H2,1-3H3.
What are the key properties of ethyl 2-[1-(4-methylphenyl)ethylamino]benzoate?
ethyl 2-[1-(4-methylphenyl)ethylamino]benzoate has a molecular weight of 283.37 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(4-methylphenyl)ethylamino]benzoate is sourced from PubChem (CID 43322188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).