2-ethylhexyl 4-(dimethylamino)benzoate

C17H27NO2 — CID 30541

IUPAC2-ethylhexyl 4-(dimethylamino)benzoate
SMILESCCCCC(CC)COC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-5-7-8-14(6-2)13-20-17(19)15-9-11-16(12-10-15)18(3)4/h9-12,14H,5-8,13H2,1-4H3
InChIKeyWYWZRNAHINYAEF-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.13
Rot. Bonds8

About 2-ethylhexyl 4-(dimethylamino)benzoate

2-ethylhexyl 4-(dimethylamino)benzoate (PubChem CID 30541) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-ethylhexyl 4-(dimethylamino)benzoate.

Molecular Properties

Compound Name2-ethylhexyl 4-(dimethylamino)benzoate
PubChem CID30541
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-ethylhexyl 4-(dimethylamino)benzoate
SMILESCCCCC(CC)COC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-5-7-8-14(6-2)13-20-17(19)15-9-11-16(12-10-15)18(3)4/h9-12,14H,5-8,13H2,1-4H3
InChIKeyWYWZRNAHINYAEF-UHFFFAOYSA-N
XLogP4.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzocaine
CID 2337
Procaine
CID 4914
Butyl 4-aminobenzoate
CID 2482
Benzonatate
CID 7699
Tetracaine
CID 5411
Procaine Hydrochloride
CID 5795
Butacaine
CID 2480
Risocaine
CID 7174
Isobutamben
CID 7176
Tetracaine Hydrochloride
CID 8695
Methyl 4-aminobenzoate
CID 12082
4-(Dimethylamino)benzoic acid
CID 12092

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 4-(dimethylamino)benzoate?
The IUPAC name of 2-ethylhexyl 4-(dimethylamino)benzoate (CID 30541) is 2-ethylhexyl 4-(dimethylamino)benzoate.
What is the SMILES notation for 2-ethylhexyl 4-(dimethylamino)benzoate?
The canonical SMILES for 2-ethylhexyl 4-(dimethylamino)benzoate is CCCCC(CC)COC(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of 2-ethylhexyl 4-(dimethylamino)benzoate?
The InChIKey is WYWZRNAHINYAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-7-8-14(6-2)13-20-17(19)15-9-11-16(12-10-15)18(3)4/h9-12,14H,5-8,13H2,1-4H3.
What are the key properties of 2-ethylhexyl 4-(dimethylamino)benzoate?
2-ethylhexyl 4-(dimethylamino)benzoate has a molecular weight of 277.41 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 4-(dimethylamino)benzoate is sourced from PubChem (CID 30541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).