4-methoxy-2-[2-methoxyethyl(3-methoxypropyl)amino]benzoic acid

C15H23NO5 — CID 81300936

IUPAC4-methoxy-2-[2-methoxyethyl(3-methoxypropyl)amino]benzoic acid
SMILESCOCCCN(CCOC)c1cc(OC)ccc1C(=O)O
InChIInChI=1S/C15H23NO5/c1-19-9-4-7-16(8-10-20-2)14-11-12(21-3)5-6-13(14)15(17)18/h5-6,11H,4,7-10H2,1-3H3,(H,17,18)
InChIKeyNEICVTVIFAWYII-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.88
Rot. Bonds10

About 4-methoxy-2-[2-methoxyethyl(3-methoxypropyl)amino]benzoic acid

4-methoxy-2-[2-methoxyethyl(3-methoxypropyl)amino]benzoic acid (PubChem CID 81300936) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is 4-methoxy-2-[2-methoxyethyl(3-methoxypropyl)amino]benzoic acid.

Molecular Properties

Compound Name4-methoxy-2-[2-methoxyethyl(3-methoxypropyl)amino]benzoic acid
PubChem CID81300936
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Name4-methoxy-2-[2-methoxyethyl(3-methoxypropyl)amino]benzoic acid
SMILESCOCCCN(CCOC)c1cc(OC)ccc1C(=O)O
InChIInChI=1S/C15H23NO5/c1-19-9-4-7-16(8-10-20-2)14-11-12(21-3)5-6-13(14)15(17)18/h5-6,11H,4,7-10H2,1-3H3,(H,17,18)
InChIKeyNEICVTVIFAWYII-UHFFFAOYSA-N
XLogP1.88
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-[2-methoxyethyl(2-methylpropyl)amino]benzoic acid
CID 81304692
2-[bis(2-methoxyethyl)amino]-4-methylbenzoic acid
CID 62701013
2-[bis(2-methoxyethyl)amino]-5-methylbenzoic acid
CID 54593533
2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzoic acid
CID 62701501
2-[ethyl(methyl)amino]-4-methoxybenzoic acid
CID 81304499
2-fluoro-6-[2-methoxyethyl(3-methoxypropyl)amino]benzoic acid
CID 79511951
4-methoxy-2-[pentyl(propan-2-yl)amino]benzoic acid
CID 81305399
4-methoxy-2-(4-methoxybutylcarbamoylamino)benzoic acid
CID 115412206
2-[bis(2-ethoxyethyl)amino]-4-methylbenzoic acid
CID 82939762
2-methoxy-4-[[3-methoxypropyl(methyl)amino]methyl]benzoic acid
CID 106793619
4-(2,5-dimethoxy-N-propylanilino)butanoic acid
CID 100521422
4-(2,4-dimethoxy-N-propylanilino)butanoic acid
CID 100521291

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[2-methoxyethyl(3-methoxypropyl)amino]benzoic acid?
The IUPAC name of 4-methoxy-2-[2-methoxyethyl(3-methoxypropyl)amino]benzoic acid (CID 81300936) is 4-methoxy-2-[2-methoxyethyl(3-methoxypropyl)amino]benzoic acid.
What is the SMILES notation for 4-methoxy-2-[2-methoxyethyl(3-methoxypropyl)amino]benzoic acid?
The canonical SMILES for 4-methoxy-2-[2-methoxyethyl(3-methoxypropyl)amino]benzoic acid is COCCCN(CCOC)c1cc(OC)ccc1C(=O)O.
What is the InChIKey of 4-methoxy-2-[2-methoxyethyl(3-methoxypropyl)amino]benzoic acid?
The InChIKey is NEICVTVIFAWYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-19-9-4-7-16(8-10-20-2)14-11-12(21-3)5-6-13(14)15(17)18/h5-6,11H,4,7-10H2,1-3H3,(H,17,18).
What are the key properties of 4-methoxy-2-[2-methoxyethyl(3-methoxypropyl)amino]benzoic acid?
4-methoxy-2-[2-methoxyethyl(3-methoxypropyl)amino]benzoic acid has a molecular weight of 297.35 g/mol, XLogP of 1.88, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[2-methoxyethyl(3-methoxypropyl)amino]benzoic acid is sourced from PubChem (CID 81300936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).