3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-methoxybenzoic acid

C15H23NO4 — CID 62017479

IUPAC3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-methoxybenzoic acid
SMILESCCN(Cc1cc(C(=O)O)ccc1OC)C(C)COC
InChIInChI=1S/C15H23NO4/c1-5-16(11(2)10-19-3)9-13-8-12(15(17)18)6-7-14(13)20-4/h6-8,11H,5,9-10H2,1-4H3,(H,17,18)
InChIKeyAJKPUSTWOAZHIV-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.25
Rot. Bonds8

About 3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-methoxybenzoic acid

3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-methoxybenzoic acid (PubChem CID 62017479) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-methoxybenzoic acid
PubChem CID62017479
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-methoxybenzoic acid
SMILESCCN(Cc1cc(C(=O)O)ccc1OC)C(C)COC
InChIInChI=1S/C15H23NO4/c1-5-16(11(2)10-19-3)9-13-8-12(15(17)18)6-7-14(13)20-4/h6-8,11H,5,9-10H2,1-4H3,(H,17,18)
InChIKeyAJKPUSTWOAZHIV-UHFFFAOYSA-N
XLogP2.25
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-methoxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[butan-2-yl(ethyl)amino]methyl]-4-methoxybenzoic acid
CID 62018229
3-fluoro-4-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]benzoic acid
CID 63075070
3-[(dimethylamino)methyl]-4-methoxybenzoic acid;hydrochloride
CID 46736545
3-[ethyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]butanoic acid
CID 62827812
3-(2-hydroxy-3-methoxypropoxy)-4-methoxybenzoic acid
CID 63928404
3-[[2,2-dimethylpropyl(methyl)amino]methyl]-4-methoxybenzoic acid
CID 62019167
4-methoxy-3-[(N-methylanilino)methyl]benzoic acid
CID 62016912
4-fluoro-3-[[2-methoxyethyl(propan-2-yl)amino]methyl]benzoic acid
CID 82965404
3-[2-(disulfanyl)propyl]-4-methoxybenzoic acid
CID 20976466
1-[3-[[2-hydroxyethyl(propan-2-yl)amino]methyl]-4-methoxyphenyl]ethanone
CID 60691475
3-[(N,2-dimethylanilino)methyl]-4-methoxybenzoic acid
CID 62018600
4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-3-fluorobenzenecarbothioamide
CID 55011380

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-methoxybenzoic acid?
The IUPAC name of 3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-methoxybenzoic acid (CID 62017479) is 3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-methoxybenzoic acid.
What is the SMILES notation for 3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-methoxybenzoic acid?
The canonical SMILES for 3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-methoxybenzoic acid is CCN(Cc1cc(C(=O)O)ccc1OC)C(C)COC.
What is the InChIKey of 3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-methoxybenzoic acid?
The InChIKey is AJKPUSTWOAZHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-5-16(11(2)10-19-3)9-13-8-12(15(17)18)6-7-14(13)20-4/h6-8,11H,5,9-10H2,1-4H3,(H,17,18).
What are the key properties of 3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-methoxybenzoic acid?
3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-methoxybenzoic acid has a molecular weight of 281.35 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-methoxybenzoic acid is sourced from PubChem (CID 62017479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).