2-(4-methylanilino)nonanoic acid

C16H25NO2 — CID 63524441

IUPAC2-(4-methylanilino)nonanoic acid
SMILESCCCCCCCC(Nc1ccc(C)cc1)C(=O)O
InChIInChI=1S/C16H25NO2/c1-3-4-5-6-7-8-15(16(18)19)17-14-11-9-13(2)10-12-14/h9-12,15,17H,3-8H2,1-2H3,(H,18,19)
InChIKeyZONFJQFXWUUSCG-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.22
Rot. Bonds9

About 2-(4-methylanilino)nonanoic acid

2-(4-methylanilino)nonanoic acid (PubChem CID 63524441) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(4-methylanilino)nonanoic acid.

Molecular Properties

Compound Name2-(4-methylanilino)nonanoic acid
PubChem CID63524441
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(4-methylanilino)nonanoic acid
SMILESCCCCCCCC(Nc1ccc(C)cc1)C(=O)O
InChIInChI=1S/C16H25NO2/c1-3-4-5-6-7-8-15(16(18)19)17-14-11-9-13(2)10-12-14/h9-12,15,17H,3-8H2,1-2H3,(H,18,19)
InChIKeyZONFJQFXWUUSCG-UHFFFAOYSA-N
XLogP4.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylanilino)heptanoic acid
CID 54889807
4-(1-carboxypentadecylamino)benzoic acid
CID 57200267
2-(4-bromoanilino)octanoic acid
CID 55223557
2-(3-methylanilino)heptanoic acid
CID 54890661
2-(4-methylsulfanylanilino)hexanoic acid
CID 103232532
ethyl (2R)-2-anilinotridecanoate
CID 155931058
methyl 2-anilinooctanoate
CID 54889679
2-anilinoheptanamide
CID 61005049
(2S)-2-anilinopentanoic acid
CID 22847649
4-methyl-N-(2-oxodecan-3-yl)benzamide
CID 174640324
2-(2,4-dimethylanilino)hexanoic acid
CID 103230729
2-(4-ethylanilino)pentanoic acid
CID 83038138

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylanilino)nonanoic acid?
The IUPAC name of 2-(4-methylanilino)nonanoic acid (CID 63524441) is 2-(4-methylanilino)nonanoic acid.
What is the SMILES notation for 2-(4-methylanilino)nonanoic acid?
The canonical SMILES for 2-(4-methylanilino)nonanoic acid is CCCCCCCC(Nc1ccc(C)cc1)C(=O)O.
What is the InChIKey of 2-(4-methylanilino)nonanoic acid?
The InChIKey is ZONFJQFXWUUSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-4-5-6-7-8-15(16(18)19)17-14-11-9-13(2)10-12-14/h9-12,15,17H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-methylanilino)nonanoic acid?
2-(4-methylanilino)nonanoic acid has a molecular weight of 263.38 g/mol, XLogP of 4.22, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylanilino)nonanoic acid is sourced from PubChem (CID 63524441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).