4-methoxy-2-(4-methylhexan-2-ylamino)benzoic acid

C15H23NO3 — CID 81309245

IUPAC4-methoxy-2-(4-methylhexan-2-ylamino)benzoic acid
SMILESCCC(C)CC(C)Nc1cc(OC)ccc1C(=O)O
InChIInChI=1S/C15H23NO3/c1-5-10(2)8-11(3)16-14-9-12(19-4)6-7-13(14)15(17)18/h6-7,9-11,16H,5,8H2,1-4H3,(H,17,18)
InChIKeyMXTNCQVSLAOAHB-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.63
Rot. Bonds7

About 4-methoxy-2-(4-methylhexan-2-ylamino)benzoic acid

4-methoxy-2-(4-methylhexan-2-ylamino)benzoic acid (PubChem CID 81309245) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-methoxy-2-(4-methylhexan-2-ylamino)benzoic acid.

Molecular Properties

Compound Name4-methoxy-2-(4-methylhexan-2-ylamino)benzoic acid
PubChem CID81309245
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-methoxy-2-(4-methylhexan-2-ylamino)benzoic acid
SMILESCCC(C)CC(C)Nc1cc(OC)ccc1C(=O)O
InChIInChI=1S/C15H23NO3/c1-5-10(2)8-11(3)16-14-9-12(19-4)6-7-13(14)15(17)18/h6-7,9-11,16H,5,8H2,1-4H3,(H,17,18)
InChIKeyMXTNCQVSLAOAHB-UHFFFAOYSA-N
XLogP3.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(4-methylhexan-2-ylamino)benzoic acid?
The IUPAC name of 4-methoxy-2-(4-methylhexan-2-ylamino)benzoic acid (CID 81309245) is 4-methoxy-2-(4-methylhexan-2-ylamino)benzoic acid.
What is the SMILES notation for 4-methoxy-2-(4-methylhexan-2-ylamino)benzoic acid?
The canonical SMILES for 4-methoxy-2-(4-methylhexan-2-ylamino)benzoic acid is CCC(C)CC(C)Nc1cc(OC)ccc1C(=O)O.
What is the InChIKey of 4-methoxy-2-(4-methylhexan-2-ylamino)benzoic acid?
The InChIKey is MXTNCQVSLAOAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-10(2)8-11(3)16-14-9-12(19-4)6-7-13(14)15(17)18/h6-7,9-11,16H,5,8H2,1-4H3,(H,17,18).
What are the key properties of 4-methoxy-2-(4-methylhexan-2-ylamino)benzoic acid?
4-methoxy-2-(4-methylhexan-2-ylamino)benzoic acid has a molecular weight of 265.35 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(4-methylhexan-2-ylamino)benzoic acid is sourced from PubChem (CID 81309245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).