ethyl 2-(1-phenylpropylamino)benzoate

C18H21NO2 — CID 43322187

IUPACethyl 2-(1-phenylpropylamino)benzoate
SMILESCCOC(=O)c1ccccc1NC(CC)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-3-16(14-10-6-5-7-11-14)19-17-13-9-8-12-15(17)18(20)21-4-2/h5-13,16,19H,3-4H2,1-2H3
InChIKeyIGOVAPOHCXVNMB-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.43
Rot. Bonds6

About ethyl 2-(1-phenylpropylamino)benzoate

ethyl 2-(1-phenylpropylamino)benzoate (PubChem CID 43322187) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is ethyl 2-(1-phenylpropylamino)benzoate.

Molecular Properties

Compound Nameethyl 2-(1-phenylpropylamino)benzoate
PubChem CID43322187
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Nameethyl 2-(1-phenylpropylamino)benzoate
SMILESCCOC(=O)c1ccccc1NC(CC)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-3-16(14-10-6-5-7-11-14)19-17-13-9-8-12-15(17)18(20)21-4-2/h5-13,16,19H,3-4H2,1-2H3
InChIKeyIGOVAPOHCXVNMB-UHFFFAOYSA-N
XLogP4.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(1-phenylethylamino)benzoate;hydrochloride
CID 172883208
ethyl 2-[1-(4-methylphenyl)ethylamino]benzoate
CID 43322188
2-amino-3-(1-phenylpropylamino)benzamide
CID 115545839
methyl 2-[1-(3-bromophenyl)propylamino]benzoate
CID 43774543
ethyl 2-[(3-hydroxy-3-methylbutan-2-yl)amino]benzoate
CID 65333022
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
2-[(3-methyl-1-phenylbutyl)amino]benzoic acid
CID 43322105
ethyl 2-[(2-methyl-3-phenylpropanoyl)amino]benzoate
CID 110356214
ethyl 3-methyl-5-(1-phenylpropylamino)-1,2-thiazole-4-carboxylate
CID 79371231
ethyl 2-(propanoylamino)benzoate
CID 4190428

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-phenylpropylamino)benzoate?
The IUPAC name of ethyl 2-(1-phenylpropylamino)benzoate (CID 43322187) is ethyl 2-(1-phenylpropylamino)benzoate.
What is the SMILES notation for ethyl 2-(1-phenylpropylamino)benzoate?
The canonical SMILES for ethyl 2-(1-phenylpropylamino)benzoate is CCOC(=O)c1ccccc1NC(CC)c1ccccc1.
What is the InChIKey of ethyl 2-(1-phenylpropylamino)benzoate?
The InChIKey is IGOVAPOHCXVNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-16(14-10-6-5-7-11-14)19-17-13-9-8-12-15(17)18(20)21-4-2/h5-13,16,19H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(1-phenylpropylamino)benzoate?
ethyl 2-(1-phenylpropylamino)benzoate has a molecular weight of 283.37 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-phenylpropylamino)benzoate is sourced from PubChem (CID 43322187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).