2-ethylhexyl 4-(dimethylamino)-2-ethylbenzoate

C19H31NO2 — CID 68919735

IUPAC2-ethylhexyl 4-(dimethylamino)-2-ethylbenzoate
SMILESCCCCC(CC)COC(=O)c1ccc(N(C)C)cc1CC
InChIInChI=1S/C19H31NO2/c1-6-9-10-15(7-2)14-22-19(21)18-12-11-17(20(4)5)13-16(18)8-3/h11-13,15H,6-10,14H2,1-5H3
InChIKeyRUWFVIAEQOXPGP-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.69
Rot. Bonds9

About 2-ethylhexyl 4-(dimethylamino)-2-ethylbenzoate

2-ethylhexyl 4-(dimethylamino)-2-ethylbenzoate (PubChem CID 68919735) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 2-ethylhexyl 4-(dimethylamino)-2-ethylbenzoate.

Molecular Properties

Compound Name2-ethylhexyl 4-(dimethylamino)-2-ethylbenzoate
PubChem CID68919735
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name2-ethylhexyl 4-(dimethylamino)-2-ethylbenzoate
SMILESCCCCC(CC)COC(=O)c1ccc(N(C)C)cc1CC
InChIInChI=1S/C19H31NO2/c1-6-9-10-15(7-2)14-22-19(21)18-12-11-17(20(4)5)13-16(18)8-3/h11-13,15H,6-10,14H2,1-5H3
InChIKeyRUWFVIAEQOXPGP-UHFFFAOYSA-N
XLogP4.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylhexyl 3-(dimethylamino)benzoate
CID 141093036
4-O,5-O-diethyl 1-O,2-O-bis(2-ethylhexyl) benzene-1,2,4,5-tetracarboxylate
CID 50905906
2-ethylhexyl 5-amino-2-(dimethylamino)benzoate
CID 63447147
1-O,4-O-bis[(2R)-2-ethylhexyl] 2-O-[(2S)-2-ethylhexyl] benzene-1,2,4-tricarboxylate
CID 42580152
2-ethylhexyl 2,3-dihydroxybenzoate
CID 175413950
4-(2-ethylhexoxycarbonyl)benzene-1,2,3-tricarboxylic acid
CID 141451805
2,3,4-tris(2-ethylhexoxycarbonyl)benzoic acid
CID 141011156
2-ethylhexyl 2-carbamoyl-4-hydroxybenzoate
CID 67824310
bis(2-ethylhexyl) benzene-1,2-dicarboxylate;tetramethylsilane
CID 67644728
2-aminobenzoic acid;2-ethylhexyl 4-(dimethylamino)benzoate
CID 67897666
1-O,4-O-dibutyl 2-O-(2-ethylhexyl) benzene-1,2,4-tricarboxylate
CID 175702841
2-ethylhexyl 2,4-diamino-3-methylbenzoate
CID 57072816

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 4-(dimethylamino)-2-ethylbenzoate?
The IUPAC name of 2-ethylhexyl 4-(dimethylamino)-2-ethylbenzoate (CID 68919735) is 2-ethylhexyl 4-(dimethylamino)-2-ethylbenzoate.
What is the SMILES notation for 2-ethylhexyl 4-(dimethylamino)-2-ethylbenzoate?
The canonical SMILES for 2-ethylhexyl 4-(dimethylamino)-2-ethylbenzoate is CCCCC(CC)COC(=O)c1ccc(N(C)C)cc1CC.
What is the InChIKey of 2-ethylhexyl 4-(dimethylamino)-2-ethylbenzoate?
The InChIKey is RUWFVIAEQOXPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-6-9-10-15(7-2)14-22-19(21)18-12-11-17(20(4)5)13-16(18)8-3/h11-13,15H,6-10,14H2,1-5H3.
What are the key properties of 2-ethylhexyl 4-(dimethylamino)-2-ethylbenzoate?
2-ethylhexyl 4-(dimethylamino)-2-ethylbenzoate has a molecular weight of 305.46 g/mol, XLogP of 4.69, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 4-(dimethylamino)-2-ethylbenzoate is sourced from PubChem (CID 68919735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).