2-ethylhexyl 4-(nonylamino)benzoate

C24H41NO2 — CID 152623019

IUPAC2-ethylhexyl 4-(nonylamino)benzoate
SMILESCCCCCCCCCNc1ccc(C(=O)OCC(CC)CCCC)cc1
InChIInChI=1S/C24H41NO2/c1-4-7-9-10-11-12-13-19-25-23-17-15-22(16-18-23)24(26)27-20-21(6-3)14-8-5-2/h15-18,21,25H,4-14,19-20H2,1-3H3
InChIKeyZBXRWFIETOYAJG-UHFFFAOYSA-N
MW375.60 g/mol
LogP7.22
Rot. Bonds16

About 2-ethylhexyl 4-(nonylamino)benzoate

2-ethylhexyl 4-(nonylamino)benzoate (PubChem CID 152623019) has the molecular formula C24H41NO2 and a molecular weight of 375.60 g/mol. Its IUPAC name is 2-ethylhexyl 4-(nonylamino)benzoate.

Molecular Properties

Compound Name2-ethylhexyl 4-(nonylamino)benzoate
PubChem CID152623019
Molecular FormulaC24H41NO2
Molecular Weight375.60 g/mol
Exact Mass375.31
IUPAC Name2-ethylhexyl 4-(nonylamino)benzoate
SMILESCCCCCCCCCNc1ccc(C(=O)OCC(CC)CCCC)cc1
InChIInChI=1S/C24H41NO2/c1-4-7-9-10-11-12-13-19-25-23-17-15-22(16-18-23)24(26)27-20-21(6-3)14-8-5-2/h15-18,21,25H,4-14,19-20H2,1-3H3
InChIKeyZBXRWFIETOYAJG-UHFFFAOYSA-N
XLogP7.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.60
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethylhexyl 4-(2-hydroxyethylamino)benzoate
CID 61304667
2-ethylhexyl 4-fluorobenzoate
CID 579252
[2-[4-(hexadecylamino)benzoyl]oxy-3-hydroxypropyl] 4-(hexadecylamino)benzoate
CID 13255327
bis(2-ethylhexyl) benzene-1,4-dicarboxylate;2-methylpropan-1-ol
CID 157421675
2-[4-(hexadecylamino)benzoyl]oxyacetic acid
CID 13020106
(2-amino-2-oxoethyl) 4-(decylamino)benzoate
CID 23457837
2-ethylhexyl 4-formylbenzoate
CID 138566584
2-ethylhexyl 4-[[4-[4-(2-ethylhexoxycarbonyl)anilino]-6-methyl-1,3,5-triazin-2-yl]amino]benzoate
CID 23386483
4-hydroxybutyl 4-(hexadecylamino)benzoate
CID 13019378
benzoic acid;2-ethylhexyl benzoate
CID 90214866
2-ethylhexyl 4-nitrobenzoate
CID 591313
2-ethylhexyl 4-amino-3-methylbenzoate
CID 63446671

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 4-(nonylamino)benzoate?
The IUPAC name of 2-ethylhexyl 4-(nonylamino)benzoate (CID 152623019) is 2-ethylhexyl 4-(nonylamino)benzoate.
What is the SMILES notation for 2-ethylhexyl 4-(nonylamino)benzoate?
The canonical SMILES for 2-ethylhexyl 4-(nonylamino)benzoate is CCCCCCCCCNc1ccc(C(=O)OCC(CC)CCCC)cc1.
What is the InChIKey of 2-ethylhexyl 4-(nonylamino)benzoate?
The InChIKey is ZBXRWFIETOYAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO2/c1-4-7-9-10-11-12-13-19-25-23-17-15-22(16-18-23)24(26)27-20-21(6-3)14-8-5-2/h15-18,21,25H,4-14,19-20H2,1-3H3.
What are the key properties of 2-ethylhexyl 4-(nonylamino)benzoate?
2-ethylhexyl 4-(nonylamino)benzoate has a molecular weight of 375.60 g/mol, XLogP of 7.22, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 4-(nonylamino)benzoate is sourced from PubChem (CID 152623019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).