2-methyl-2-(3-methylanilino)nonanoic acid

C17H27NO2 — CID 60994073

IUPAC2-methyl-2-(3-methylanilino)nonanoic acid
SMILESCCCCCCCC(C)(Nc1cccc(C)c1)C(=O)O
InChIInChI=1S/C17H27NO2/c1-4-5-6-7-8-12-17(3,16(19)20)18-15-11-9-10-14(2)13-15/h9-11,13,18H,4-8,12H2,1-3H3,(H,19,20)
InChIKeyPQVLMZUJWVAULF-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.61
Rot. Bonds9

About 2-methyl-2-(3-methylanilino)nonanoic acid

2-methyl-2-(3-methylanilino)nonanoic acid (PubChem CID 60994073) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-methyl-2-(3-methylanilino)nonanoic acid.

Molecular Properties

Compound Name2-methyl-2-(3-methylanilino)nonanoic acid
PubChem CID60994073
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-methyl-2-(3-methylanilino)nonanoic acid
SMILESCCCCCCCC(C)(Nc1cccc(C)c1)C(=O)O
InChIInChI=1S/C17H27NO2/c1-4-5-6-7-8-12-17(3,16(19)20)18-15-11-9-10-14(2)13-15/h9-11,13,18H,4-8,12H2,1-3H3,(H,19,20)
InChIKeyPQVLMZUJWVAULF-UHFFFAOYSA-N
XLogP4.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.61
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

methyl 2-methyl-2-(3-methylanilino)octanoate
CID 63524625
2-(4-bromoanilino)-2-methylnonanoic acid
CID 60993267
methyl 2-anilino-2-methyloctanoate
CID 54890030
(2R)-2-methyl-2-[[1-[(3-methylphenyl)carbamoyl]piperidine-4-carbonyl]amino]octanoic acid
CID 100675921
ethyl 2-anilino-2-methylheptanoate
CID 80558019
methyl 6,6,6-trifluoro-2-methyl-2-(3-methylanilino)hexanoate
CID 116535546
2-(3-methoxyanilino)-2-methyloctanamide
CID 61005310
2-anilino-2-methylpentanoic acid
CID 60992039
2-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]butanoic acid
CID 79788912
2-methyl-2-[(3-methylphenyl)carbamoylamino]butanoic acid
CID 79792256
2-methyl-2-(3-methylanilino)-4-phenylbutanamide
CID 61005082
2-(3-fluoro-5-methylanilino)-2-methylnonanamide
CID 79044705

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methylanilino)nonanoic acid?
The IUPAC name of 2-methyl-2-(3-methylanilino)nonanoic acid (CID 60994073) is 2-methyl-2-(3-methylanilino)nonanoic acid.
What is the SMILES notation for 2-methyl-2-(3-methylanilino)nonanoic acid?
The canonical SMILES for 2-methyl-2-(3-methylanilino)nonanoic acid is CCCCCCCC(C)(Nc1cccc(C)c1)C(=O)O.
What is the InChIKey of 2-methyl-2-(3-methylanilino)nonanoic acid?
The InChIKey is PQVLMZUJWVAULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-5-6-7-8-12-17(3,16(19)20)18-15-11-9-10-14(2)13-15/h9-11,13,18H,4-8,12H2,1-3H3,(H,19,20).
What are the key properties of 2-methyl-2-(3-methylanilino)nonanoic acid?
2-methyl-2-(3-methylanilino)nonanoic acid has a molecular weight of 277.41 g/mol, XLogP of 4.61, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methylanilino)nonanoic acid is sourced from PubChem (CID 60994073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).