4-(2-acetamidoethoxy)benzoic acid

C11H13NO4 — CID 660645

IUPAC4-(2-acetamidoethoxy)benzoic acid
SMILESCC(=O)NCCOc1ccc(C(=O)O)cc1
InChIInChI=1S/C11H13NO4/c1-8(13)12-6-7-16-10-4-2-9(3-5-10)11(14)15/h2-5H,6-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyRARYSZHXJOYKDU-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.90
Rot. Bonds5

About 4-(2-acetamidoethoxy)benzoic acid

4-(2-acetamidoethoxy)benzoic acid (PubChem CID 660645) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-(2-acetamidoethoxy)benzoic acid.

Molecular Properties

Compound Name4-(2-acetamidoethoxy)benzoic acid
PubChem CID660645
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name4-(2-acetamidoethoxy)benzoic acid
SMILESCC(=O)NCCOc1ccc(C(=O)O)cc1
InChIInChI=1S/C11H13NO4/c1-8(13)12-6-7-16-10-4-2-9(3-5-10)11(14)15/h2-5H,6-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyRARYSZHXJOYKDU-UHFFFAOYSA-N
XLogP0.90
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Parethoxycaine
CID 7183
Benzoic acid, 4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
CID 8694
2-((4-(Propan-2-yloxy)phenyl)formamido)acetic acid
CID 870166
4-(2-Piperidinoethoxy)benzoic acid hydrochloride
CID 5743835
Ethyl 4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzoate
CID 12238216
(2~{S})-3-methyl-2-[(4-octoxyphenyl)carbonylamino]butanoic acid
CID 90896292
Butoxycaine
CID 16882
4-[2-(2-Oxopyrrolidin-1-yl)ethoxy]benzoic acid
CID 6497235
Benzoic acid, 4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-, methyl ester
CID 559935
Butoxycaine Hydrochloride
CID 16881
4-[2-(Diethylamino)ethoxy]benzoic acid hydrochloride
CID 42937492
4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzoic acid
CID 12540204

Frequently Asked Questions

What is the IUPAC name of 4-(2-acetamidoethoxy)benzoic acid?
The IUPAC name of 4-(2-acetamidoethoxy)benzoic acid (CID 660645) is 4-(2-acetamidoethoxy)benzoic acid.
What is the SMILES notation for 4-(2-acetamidoethoxy)benzoic acid?
The canonical SMILES for 4-(2-acetamidoethoxy)benzoic acid is CC(=O)NCCOc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(2-acetamidoethoxy)benzoic acid?
The InChIKey is RARYSZHXJOYKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-8(13)12-6-7-16-10-4-2-9(3-5-10)11(14)15/h2-5H,6-7H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 4-(2-acetamidoethoxy)benzoic acid?
4-(2-acetamidoethoxy)benzoic acid has a molecular weight of 223.23 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetamidoethoxy)benzoic acid is sourced from PubChem (CID 660645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).