2-(2-dodecylanilino)acetic acid

C20H33NO2 — CID 22628781

IUPAC2-(2-dodecylanilino)acetic acid
SMILESCCCCCCCCCCCCc1ccccc1NCC(=O)O
InChIInChI=1S/C20H33NO2/c1-2-3-4-5-6-7-8-9-10-11-14-18-15-12-13-16-19(18)21-17-20(22)23/h12-13,15-16,21H,2-11,14,17H2,1H3,(H,22,23)
InChIKeyJNKMCQHZJBABFK-UHFFFAOYSA-N
MW319.49 g/mol
LogP5.65
Rot. Bonds14

About 2-(2-dodecylanilino)acetic acid

2-(2-dodecylanilino)acetic acid (PubChem CID 22628781) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is 2-(2-dodecylanilino)acetic acid.

Molecular Properties

Compound Name2-(2-dodecylanilino)acetic acid
PubChem CID22628781
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name2-(2-dodecylanilino)acetic acid
SMILESCCCCCCCCCCCCc1ccccc1NCC(=O)O
InChIInChI=1S/C20H33NO2/c1-2-3-4-5-6-7-8-9-10-11-14-18-15-12-13-16-19(18)21-17-20(22)23/h12-13,15-16,21H,2-11,14,17H2,1H3,(H,22,23)
InChIKeyJNKMCQHZJBABFK-UHFFFAOYSA-N
XLogP5.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.49
LogP ≤ 55.65
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

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2-(2-nonylanilino)ethanol
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(2-pentylphenyl)carbamothioic S-acid
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2-(2-butyl-4-methylanilino)acetic acid
CID 54469152
carbonic acid;bis(2-nonylphenol)
CID 69221300
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CID 175316873
(2,3-dihexylphenyl)carbamic acid
CID 67251451
2-(2-dodecylphenoxy)acetic acid
CID 572415
(2,3-didodecylphenyl)carbamic acid
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2-pentyl-N-phenylaniline
CID 20516677

Frequently Asked Questions

What is the IUPAC name of 2-(2-dodecylanilino)acetic acid?
The IUPAC name of 2-(2-dodecylanilino)acetic acid (CID 22628781) is 2-(2-dodecylanilino)acetic acid.
What is the SMILES notation for 2-(2-dodecylanilino)acetic acid?
The canonical SMILES for 2-(2-dodecylanilino)acetic acid is CCCCCCCCCCCCc1ccccc1NCC(=O)O.
What is the InChIKey of 2-(2-dodecylanilino)acetic acid?
The InChIKey is JNKMCQHZJBABFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2/c1-2-3-4-5-6-7-8-9-10-11-14-18-15-12-13-16-19(18)21-17-20(22)23/h12-13,15-16,21H,2-11,14,17H2,1H3,(H,22,23).
What are the key properties of 2-(2-dodecylanilino)acetic acid?
2-(2-dodecylanilino)acetic acid has a molecular weight of 319.49 g/mol, XLogP of 5.65, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dodecylanilino)acetic acid is sourced from PubChem (CID 22628781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).