2-(4-methoxyanilino)-2,5-dimethylhexanoic acid

C15H23NO3 — CID 60992410

IUPAC2-(4-methoxyanilino)-2,5-dimethylhexanoic acid
SMILESCOc1ccc(NC(C)(CCC(C)C)C(=O)O)cc1
InChIInChI=1S/C15H23NO3/c1-11(2)9-10-15(3,14(17)18)16-12-5-7-13(19-4)8-6-12/h5-8,11,16H,9-10H2,1-4H3,(H,17,18)
InChIKeyCKCPZIMQHQSZBK-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.39
Rot. Bonds7

About 2-(4-methoxyanilino)-2,5-dimethylhexanoic acid

2-(4-methoxyanilino)-2,5-dimethylhexanoic acid (PubChem CID 60992410) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-2,5-dimethylhexanoic acid.

Molecular Properties

Compound Name2-(4-methoxyanilino)-2,5-dimethylhexanoic acid
PubChem CID60992410
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(4-methoxyanilino)-2,5-dimethylhexanoic acid
SMILESCOc1ccc(NC(C)(CCC(C)C)C(=O)O)cc1
InChIInChI=1S/C15H23NO3/c1-11(2)9-10-15(3,14(17)18)16-12-5-7-13(19-4)8-6-12/h5-8,11,16H,9-10H2,1-4H3,(H,17,18)
InChIKeyCKCPZIMQHQSZBK-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(4-methoxyanilino)-2-methylpentanoate
CID 54890065
2-(4-methoxyanilino)-2-methylpentanamide
CID 54889125
ethyl 2-(3-methoxyanilino)-2,5-dimethylhexanoate
CID 60992871
1-(2,5-dimethylhexan-2-yl)-4-methoxybenzene
CID 121309447
1-(4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 18884814
2-(4-methoxyanilino)-4,4-dimethylpentanoic acid
CID 62950052
2-(butan-2-ylamino)-4-(4-methoxyphenyl)-2-methylbutanoic acid
CID 61024807
1-(4-methoxyphenyl)-2,5-dimethylhexan-2-ol
CID 65145568
2-fluoro-3-(4-methoxyanilino)-2-methylpropanoic acid
CID 105484472
2-[(4-methoxyphenyl)methylamino]-2-methylpentanoic acid
CID 43619594
2-(4-methoxyphenyl)-N-[4-(3-methylbutylamino)phenyl]acetamide
CID 112985099
(2R)-2-(4-methoxyanilino)pentanoic acid
CID 11085419

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-2,5-dimethylhexanoic acid?
The IUPAC name of 2-(4-methoxyanilino)-2,5-dimethylhexanoic acid (CID 60992410) is 2-(4-methoxyanilino)-2,5-dimethylhexanoic acid.
What is the SMILES notation for 2-(4-methoxyanilino)-2,5-dimethylhexanoic acid?
The canonical SMILES for 2-(4-methoxyanilino)-2,5-dimethylhexanoic acid is COc1ccc(NC(C)(CCC(C)C)C(=O)O)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-2,5-dimethylhexanoic acid?
The InChIKey is CKCPZIMQHQSZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)9-10-15(3,14(17)18)16-12-5-7-13(19-4)8-6-12/h5-8,11,16H,9-10H2,1-4H3,(H,17,18).
What are the key properties of 2-(4-methoxyanilino)-2,5-dimethylhexanoic acid?
2-(4-methoxyanilino)-2,5-dimethylhexanoic acid has a molecular weight of 265.35 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-2,5-dimethylhexanoic acid is sourced from PubChem (CID 60992410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).