2-ethenyl-4-[ethyl(propyl)amino]benzoic acid

C14H19NO2 — CID 70518860

IUPAC2-ethenyl-4-[ethyl(propyl)amino]benzoic acid
SMILESC=Cc1cc(N(CC)CCC)ccc1C(=O)O
InChIInChI=1S/C14H19NO2/c1-4-9-15(6-3)12-7-8-13(14(16)17)11(5-2)10-12/h5,7-8,10H,2,4,6,9H2,1,3H3,(H,16,17)
InChIKeyZQDMRHAHAXQOSJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.26
Rot. Bonds6

About 2-ethenyl-4-[ethyl(propyl)amino]benzoic acid

2-ethenyl-4-[ethyl(propyl)amino]benzoic acid (PubChem CID 70518860) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-ethenyl-4-[ethyl(propyl)amino]benzoic acid.

Molecular Properties

Compound Name2-ethenyl-4-[ethyl(propyl)amino]benzoic acid
PubChem CID70518860
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-ethenyl-4-[ethyl(propyl)amino]benzoic acid
SMILESC=Cc1cc(N(CC)CCC)ccc1C(=O)O
InChIInChI=1S/C14H19NO2/c1-4-9-15(6-3)12-7-8-13(14(16)17)11(5-2)10-12/h5,7-8,10H,2,4,6,9H2,1,3H3,(H,16,17)
InChIKeyZQDMRHAHAXQOSJ-UHFFFAOYSA-N
XLogP3.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[ethyl(propyl)amino]-2-(hydroxyamino)benzoic acid
CID 90958104
4-[butyl(ethyl)amino]-2-chlorobenzoic acid
CID 62945912
4-[ethyl(2-hydroxyethyl)amino]-2-methylbenzoic acid
CID 112694436
4-[butyl(ethyl)amino]-2-(trifluoromethyl)benzoic acid
CID 62701815
5-(diethylamino)-2-formylbenzoic acid
CID 20568014
4-ethenyl-N-ethyl-N-propylaniline
CID 89377389
2-chloro-4-(diethylamino)benzoic acid
CID 62945761
4-[butyl(ethyl)amino]-2-nitrobenzoic acid
CID 113419608
4-[3-(dimethylamino)propyl-ethylamino]-2-methylbenzoic acid
CID 102993991
2-ethenylterephthalic acid
CID 21087698
2-chloro-5-(diethylamino)benzoic acid
CID 79695041
2-amino-4-[3-(dimethylamino)propyl-ethylamino]benzoic acid
CID 102995966

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-[ethyl(propyl)amino]benzoic acid?
The IUPAC name of 2-ethenyl-4-[ethyl(propyl)amino]benzoic acid (CID 70518860) is 2-ethenyl-4-[ethyl(propyl)amino]benzoic acid.
What is the SMILES notation for 2-ethenyl-4-[ethyl(propyl)amino]benzoic acid?
The canonical SMILES for 2-ethenyl-4-[ethyl(propyl)amino]benzoic acid is C=Cc1cc(N(CC)CCC)ccc1C(=O)O.
What is the InChIKey of 2-ethenyl-4-[ethyl(propyl)amino]benzoic acid?
The InChIKey is ZQDMRHAHAXQOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-9-15(6-3)12-7-8-13(14(16)17)11(5-2)10-12/h5,7-8,10H,2,4,6,9H2,1,3H3,(H,16,17).
What are the key properties of 2-ethenyl-4-[ethyl(propyl)amino]benzoic acid?
2-ethenyl-4-[ethyl(propyl)amino]benzoic acid has a molecular weight of 233.31 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-[ethyl(propyl)amino]benzoic acid is sourced from PubChem (CID 70518860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).