2-(N-octoxyanilino)acetic acid

C16H25NO3 — CID 54571565

IUPAC2-(N-octoxyanilino)acetic acid
SMILESCCCCCCCCON(CC(=O)O)c1ccccc1
InChIInChI=1S/C16H25NO3/c1-2-3-4-5-6-10-13-20-17(14-16(18)19)15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3,(H,18,19)
InChIKeyZXQJWZITKREQDF-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.87
Rot. Bonds11

About 2-(N-octoxyanilino)acetic acid

2-(N-octoxyanilino)acetic acid (PubChem CID 54571565) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(N-octoxyanilino)acetic acid.

Molecular Properties

Compound Name2-(N-octoxyanilino)acetic acid
PubChem CID54571565
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-(N-octoxyanilino)acetic acid
SMILESCCCCCCCCON(CC(=O)O)c1ccccc1
InChIInChI=1S/C16H25NO3/c1-2-3-4-5-6-10-13-20-17(14-16(18)19)15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3,(H,18,19)
InChIKeyZXQJWZITKREQDF-UHFFFAOYSA-N
XLogP3.87
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-hexoxy-N-methyl-N,N'-diphenylbutane-1,4-diamine
CID 59961378
1-phenyl-1-tetradecoxyhydrazine
CID 151258188
3-chloro-4-[(N-tetradecoxyanilino)methyl]benzoic acid
CID 174322420
2-[N-(2,2-dimethylpropoxy)anilino]acetic acid
CID 87223156
4-(N-tetradecoxyanilino)benzamide
CID 174322917
N-dimethylsilyl-N-tetradecoxyaniline
CID 174478606
octyl N-amino-N-phenylcarbamate
CID 174873425
1-(N-tetradecoxyanilino)propan-1-ol
CID 174639561
hexyl N-[(N-hexoxycarbonylanilino)methyl]-N-phenylcarbamate
CID 91468455
octyl 2-oxo-2-(N-phenylanilino)acetate
CID 141196230
tetradecyl 4-(N-methylanilino)-4-oxobutanoate
CID 91704094
4-(N-tetradecoxyanilino)benzaldehyde
CID 174322421

Frequently Asked Questions

What is the IUPAC name of 2-(N-octoxyanilino)acetic acid?
The IUPAC name of 2-(N-octoxyanilino)acetic acid (CID 54571565) is 2-(N-octoxyanilino)acetic acid.
What is the SMILES notation for 2-(N-octoxyanilino)acetic acid?
The canonical SMILES for 2-(N-octoxyanilino)acetic acid is CCCCCCCCON(CC(=O)O)c1ccccc1.
What is the InChIKey of 2-(N-octoxyanilino)acetic acid?
The InChIKey is ZXQJWZITKREQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-2-3-4-5-6-10-13-20-17(14-16(18)19)15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3,(H,18,19).
What are the key properties of 2-(N-octoxyanilino)acetic acid?
2-(N-octoxyanilino)acetic acid has a molecular weight of 279.38 g/mol, XLogP of 3.87, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-octoxyanilino)acetic acid is sourced from PubChem (CID 54571565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).