2-ethylhexyl 4-(2-hydroxyethylamino)benzoate

C17H27NO3 — CID 61304667

IUPAC2-ethylhexyl 4-(2-hydroxyethylamino)benzoate
SMILESCCCCC(CC)COC(=O)c1ccc(NCCO)cc1
InChIInChI=1S/C17H27NO3/c1-3-5-6-14(4-2)13-21-17(20)15-7-9-16(10-8-15)18-11-12-19/h7-10,14,18-19H,3-6,11-13H2,1-2H3
InChIKeyZSONCIXSZJCSHA-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.46
Rot. Bonds10

About 2-ethylhexyl 4-(2-hydroxyethylamino)benzoate

2-ethylhexyl 4-(2-hydroxyethylamino)benzoate (PubChem CID 61304667) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-ethylhexyl 4-(2-hydroxyethylamino)benzoate.

Molecular Properties

Compound Name2-ethylhexyl 4-(2-hydroxyethylamino)benzoate
PubChem CID61304667
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-ethylhexyl 4-(2-hydroxyethylamino)benzoate
SMILESCCCCC(CC)COC(=O)c1ccc(NCCO)cc1
InChIInChI=1S/C17H27NO3/c1-3-5-6-14(4-2)13-21-17(20)15-7-9-16(10-8-15)18-11-12-19/h7-10,14,18-19H,3-6,11-13H2,1-2H3
InChIKeyZSONCIXSZJCSHA-UHFFFAOYSA-N
XLogP3.46
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylhexyl 4-(nonylamino)benzoate
CID 152623019
2-ethylhexyl 4-fluorobenzoate
CID 579252
bis(2-ethylhexyl) benzene-1,4-dicarboxylate;2-methylpropan-1-ol
CID 157421675
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
benzoic acid;2-ethylhexyl benzoate
CID 90214866
2-ethylhexyl 4-[(4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]benzoate
CID 140998941
2-ethylhexyl 4-nitrobenzoate
CID 591313
2-ethylhexyl 4-amino-3-methylbenzoate
CID 63446671
1-O,4-O-bis[(2R)-2-ethylhexyl] 2-O-[(2S)-2-ethylhexyl] benzene-1,2,4-tricarboxylate
CID 42580152
2-ethylhexyl 4-[[4-[4-(2-ethylhexoxycarbonyl)anilino]-6-[[(E)-prop-1-enyl]amino]-1,3,5-triazin-2-yl]amino]benzoate
CID 163772746
2-ethylhexyl 3-amino-4-fluorobenzoate
CID 63446973

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 4-(2-hydroxyethylamino)benzoate?
The IUPAC name of 2-ethylhexyl 4-(2-hydroxyethylamino)benzoate (CID 61304667) is 2-ethylhexyl 4-(2-hydroxyethylamino)benzoate.
What is the SMILES notation for 2-ethylhexyl 4-(2-hydroxyethylamino)benzoate?
The canonical SMILES for 2-ethylhexyl 4-(2-hydroxyethylamino)benzoate is CCCCC(CC)COC(=O)c1ccc(NCCO)cc1.
What is the InChIKey of 2-ethylhexyl 4-(2-hydroxyethylamino)benzoate?
The InChIKey is ZSONCIXSZJCSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-3-5-6-14(4-2)13-21-17(20)15-7-9-16(10-8-15)18-11-12-19/h7-10,14,18-19H,3-6,11-13H2,1-2H3.
What are the key properties of 2-ethylhexyl 4-(2-hydroxyethylamino)benzoate?
2-ethylhexyl 4-(2-hydroxyethylamino)benzoate has a molecular weight of 293.41 g/mol, XLogP of 3.46, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 4-(2-hydroxyethylamino)benzoate is sourced from PubChem (CID 61304667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).