4-[2-[[ethoxymethyl(methyl)amino]methoxy]benzoyl]benzoic acid

C19H21NO5 — CID 140772831

IUPAC4-[2-[[ethoxymethyl(methyl)amino]methoxy]benzoyl]benzoic acid
SMILESCCOCN(C)COc1ccccc1C(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C19H21NO5/c1-3-24-12-20(2)13-25-17-7-5-4-6-16(17)18(21)14-8-10-15(11-9-14)19(22)23/h4-11H,3,12-13H2,1-2H3,(H,22,23)
InChIKeyUFHXHKDHIYIAAD-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.88
Rot. Bonds9

About 4-[2-[[ethoxymethyl(methyl)amino]methoxy]benzoyl]benzoic acid

4-[2-[[ethoxymethyl(methyl)amino]methoxy]benzoyl]benzoic acid (PubChem CID 140772831) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 4-[2-[[ethoxymethyl(methyl)amino]methoxy]benzoyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[[ethoxymethyl(methyl)amino]methoxy]benzoyl]benzoic acid
PubChem CID140772831
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name4-[2-[[ethoxymethyl(methyl)amino]methoxy]benzoyl]benzoic acid
SMILESCCOCN(C)COc1ccccc1C(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C19H21NO5/c1-3-24-12-20(2)13-25-17-7-5-4-6-16(17)18(21)14-8-10-15(11-9-14)19(22)23/h4-11H,3,12-13H2,1-2H3,(H,22,23)
InChIKeyUFHXHKDHIYIAAD-UHFFFAOYSA-N
XLogP2.88
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

phenyl-(2-propoxyphenyl)methanone
CID 15556308
2-[[2-hydroxyethyl(methyl)amino]methoxy]benzoic acid
CID 20985961
(2-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 43161508
(2-ethoxyphenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005373
4-[[[2-(2-ethoxyethoxy)benzoyl]amino]methyl]benzoic acid
CID 119165428
(4-ethoxyphenyl)-(2-propoxyphenyl)methanone
CID 115800643
4-[2-[1,1-difluoro-2-(2-propoxyethoxy)ethoxy]benzoyl]benzoic acid
CID 140747939
4-[4-chloro-2-(ethoxymethoxy)benzoyl]benzoic acid
CID 142582925
[2-(4-hydroxybutoxy)phenyl]-phenylmethanone
CID 166068572
2-ethoxybenzoic acid;zinc
CID 172723273
(4-chlorophenyl)-(2-propoxyphenyl)methanone
CID 104659114
4-benzoyl-3-butoxybenzoic acid
CID 21440121

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[ethoxymethyl(methyl)amino]methoxy]benzoyl]benzoic acid?
The IUPAC name of 4-[2-[[ethoxymethyl(methyl)amino]methoxy]benzoyl]benzoic acid (CID 140772831) is 4-[2-[[ethoxymethyl(methyl)amino]methoxy]benzoyl]benzoic acid.
What is the SMILES notation for 4-[2-[[ethoxymethyl(methyl)amino]methoxy]benzoyl]benzoic acid?
The canonical SMILES for 4-[2-[[ethoxymethyl(methyl)amino]methoxy]benzoyl]benzoic acid is CCOCN(C)COc1ccccc1C(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-[[ethoxymethyl(methyl)amino]methoxy]benzoyl]benzoic acid?
The InChIKey is UFHXHKDHIYIAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-3-24-12-20(2)13-25-17-7-5-4-6-16(17)18(21)14-8-10-15(11-9-14)19(22)23/h4-11H,3,12-13H2,1-2H3,(H,22,23).
What are the key properties of 4-[2-[[ethoxymethyl(methyl)amino]methoxy]benzoyl]benzoic acid?
4-[2-[[ethoxymethyl(methyl)amino]methoxy]benzoyl]benzoic acid has a molecular weight of 343.38 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[ethoxymethyl(methyl)amino]methoxy]benzoyl]benzoic acid is sourced from PubChem (CID 140772831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).