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

C15H23NO4 — CID 81304692

IUPAC4-methoxy-2-[2-methoxyethyl(2-methylpropyl)amino]benzoic acid
SMILESCOCCN(CC(C)C)c1cc(OC)ccc1C(=O)O
InChIInChI=1S/C15H23NO4/c1-11(2)10-16(7-8-19-3)14-9-12(20-4)5-6-13(14)15(17)18/h5-6,9,11H,7-8,10H2,1-4H3,(H,17,18)
InChIKeyVHWMKIUBLBAPAV-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.50
Rot. Bonds8

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

4-methoxy-2-[2-methoxyethyl(2-methylpropyl)amino]benzoic acid (PubChem CID 81304692) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 4-methoxy-2-[2-methoxyethyl(2-methylpropyl)amino]benzoic acid.

Molecular Properties

Compound Name4-methoxy-2-[2-methoxyethyl(2-methylpropyl)amino]benzoic acid
PubChem CID81304692
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name4-methoxy-2-[2-methoxyethyl(2-methylpropyl)amino]benzoic acid
SMILESCOCCN(CC(C)C)c1cc(OC)ccc1C(=O)O
InChIInChI=1S/C15H23NO4/c1-11(2)10-16(7-8-19-3)14-9-12(20-4)5-6-13(14)15(17)18/h5-6,9,11H,7-8,10H2,1-4H3,(H,17,18)
InChIKeyVHWMKIUBLBAPAV-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzoic acid
CID 62701501
4-methoxy-2-[2-methoxyethyl(3-methoxypropyl)amino]benzoic acid
CID 81300936
2-[bis(2-methoxyethyl)amino]-4-methylbenzoic acid
CID 62701013
3-chloro-4-[2-methoxyethyl(2-methylpropyl)amino]benzoic acid
CID 63088651
3-fluoro-2-[2-methoxyethyl(2-methylpropyl)amino]benzoic acid
CID 55101867
4-methoxy-2-[pentyl(propan-2-yl)amino]benzoic acid
CID 81305399
N'-hydroxy-2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzenecarboximidamide
CID 62308822
2-[ethyl(methyl)amino]-4-methoxybenzoic acid
CID 81304499
2-[ethyl(2-methylpropyl)amino]-4-methylbenzoic acid
CID 55107941
4-methoxy-2-(3-methylbutylsulfanyl)benzoic acid
CID 107758014
3-chloro-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid
CID 54986470
2-[bis(2-methoxyethyl)amino]-5-methylbenzoic acid
CID 54593533

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[2-methoxyethyl(2-methylpropyl)amino]benzoic acid?
The IUPAC name of 4-methoxy-2-[2-methoxyethyl(2-methylpropyl)amino]benzoic acid (CID 81304692) is 4-methoxy-2-[2-methoxyethyl(2-methylpropyl)amino]benzoic acid.
What is the SMILES notation for 4-methoxy-2-[2-methoxyethyl(2-methylpropyl)amino]benzoic acid?
The canonical SMILES for 4-methoxy-2-[2-methoxyethyl(2-methylpropyl)amino]benzoic acid is COCCN(CC(C)C)c1cc(OC)ccc1C(=O)O.
What is the InChIKey of 4-methoxy-2-[2-methoxyethyl(2-methylpropyl)amino]benzoic acid?
The InChIKey is VHWMKIUBLBAPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-11(2)10-16(7-8-19-3)14-9-12(20-4)5-6-13(14)15(17)18/h5-6,9,11H,7-8,10H2,1-4H3,(H,17,18).
What are the key properties of 4-methoxy-2-[2-methoxyethyl(2-methylpropyl)amino]benzoic acid?
4-methoxy-2-[2-methoxyethyl(2-methylpropyl)amino]benzoic acid has a molecular weight of 281.35 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[2-methoxyethyl(2-methylpropyl)amino]benzoic acid is sourced from PubChem (CID 81304692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).