ethyl 2-(hexan-2-ylamino)benzoate

C15H23NO2 — CID 43774647

IUPACethyl 2-(hexan-2-ylamino)benzoate
SMILESCCCCC(C)Nc1ccccc1C(=O)OCC
InChIInChI=1S/C15H23NO2/c1-4-6-9-12(3)16-14-11-8-7-10-13(14)15(17)18-5-2/h7-8,10-12,16H,4-6,9H2,1-3H3
InChIKeyMSOJTVZGLIBYQM-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.85
Rot. Bonds7

About ethyl 2-(hexan-2-ylamino)benzoate

ethyl 2-(hexan-2-ylamino)benzoate (PubChem CID 43774647) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is ethyl 2-(hexan-2-ylamino)benzoate.

Molecular Properties

Compound Nameethyl 2-(hexan-2-ylamino)benzoate
PubChem CID43774647
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nameethyl 2-(hexan-2-ylamino)benzoate
SMILESCCCCC(C)Nc1ccccc1C(=O)OCC
InChIInChI=1S/C15H23NO2/c1-4-6-9-12(3)16-14-11-8-7-10-13(14)15(17)18-5-2/h7-8,10-12,16H,4-6,9H2,1-3H3
InChIKeyMSOJTVZGLIBYQM-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(hexan-2-ylamino)benzoate
CID 43774536
ethyl 2-amino-3-(heptan-2-ylamino)benzoate
CID 115545216
methyl 2-[[(2R)-octan-2-yl]amino]benzoate
CID 93257053
ethyl 3-amino-2-(hexan-2-ylamino)benzoate
CID 112578770
ethyl 2-[[(2S)-1-oxo-1-propoxypropan-2-yl]amino]benzoate
CID 69454696
ethyl 2-(1-phenylethylamino)benzoate;hydrochloride
CID 172883208
ethyl 2-[(3-hydroxy-3-methylbutan-2-yl)amino]benzoate
CID 65333022
2-[3-(2-ethoxycarbonylanilino)-3-oxopropyl]hexanoate
CID 3580526
ethyl 2-[1-(4-methylphenyl)ethylamino]benzoate
CID 43322188
methyl 2-amino-3-(heptan-2-ylamino)benzoate
CID 113332721
ethyl 2-(1-phenylpropylamino)benzoate
CID 43322187
ethyl 2-(propylamino)benzoate
CID 15662762

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(hexan-2-ylamino)benzoate?
The IUPAC name of ethyl 2-(hexan-2-ylamino)benzoate (CID 43774647) is ethyl 2-(hexan-2-ylamino)benzoate.
What is the SMILES notation for ethyl 2-(hexan-2-ylamino)benzoate?
The canonical SMILES for ethyl 2-(hexan-2-ylamino)benzoate is CCCCC(C)Nc1ccccc1C(=O)OCC.
What is the InChIKey of ethyl 2-(hexan-2-ylamino)benzoate?
The InChIKey is MSOJTVZGLIBYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-6-9-12(3)16-14-11-8-7-10-13(14)15(17)18-5-2/h7-8,10-12,16H,4-6,9H2,1-3H3.
What are the key properties of ethyl 2-(hexan-2-ylamino)benzoate?
ethyl 2-(hexan-2-ylamino)benzoate has a molecular weight of 249.35 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(hexan-2-ylamino)benzoate is sourced from PubChem (CID 43774647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).