11-hydroxy-2-(N-methylanilino)undecanoic acid

C18H29NO3 — CID 166002008

IUPAC11-hydroxy-2-(N-methylanilino)undecanoic acid
SMILESCN(c1ccccc1)C(CCCCCCCCCO)C(=O)O
InChIInChI=1S/C18H29NO3/c1-19(16-12-8-7-9-13-16)17(18(21)22)14-10-5-3-2-4-6-11-15-20/h7-9,12-13,17,20H,2-6,10-11,14-15H2,1H3,(H,21,22)
InChIKeyAGIGUDJJYIURMA-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.69
Rot. Bonds12

About 11-hydroxy-2-(N-methylanilino)undecanoic acid

11-hydroxy-2-(N-methylanilino)undecanoic acid (PubChem CID 166002008) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 11-hydroxy-2-(N-methylanilino)undecanoic acid.

Molecular Properties

Compound Name11-hydroxy-2-(N-methylanilino)undecanoic acid
PubChem CID166002008
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name11-hydroxy-2-(N-methylanilino)undecanoic acid
SMILESCN(c1ccccc1)C(CCCCCCCCCO)C(=O)O
InChIInChI=1S/C18H29NO3/c1-19(16-12-8-7-9-13-16)17(18(21)22)14-10-5-3-2-4-6-11-15-20/h7-9,12-13,17,20H,2-6,10-11,14-15H2,1H3,(H,21,22)
InChIKeyAGIGUDJJYIURMA-UHFFFAOYSA-N
XLogP3.69
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 175035454
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(2S)-2-[benzyl(methyl)amino]hexanoic acid
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2-[dodecyl(methyl)amino]icosanoic acid
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7-hydroxy-2-(2-hydroxyphenyl)heptanoic acid
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6-amino-2-(N-formylanilino)hexanoic acid
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(9-hydroxy-1-phenylnonan-3-yl) acetate
CID 10850236
1-phenyldecane-1,10-diol
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2-hydroxybenzoic acid;8-methylnonan-1-ol
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3-(N-methylanilino)butanoic acid
CID 72755664

Frequently Asked Questions

What is the IUPAC name of 11-hydroxy-2-(N-methylanilino)undecanoic acid?
The IUPAC name of 11-hydroxy-2-(N-methylanilino)undecanoic acid (CID 166002008) is 11-hydroxy-2-(N-methylanilino)undecanoic acid.
What is the SMILES notation for 11-hydroxy-2-(N-methylanilino)undecanoic acid?
The canonical SMILES for 11-hydroxy-2-(N-methylanilino)undecanoic acid is CN(c1ccccc1)C(CCCCCCCCCO)C(=O)O.
What is the InChIKey of 11-hydroxy-2-(N-methylanilino)undecanoic acid?
The InChIKey is AGIGUDJJYIURMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-19(16-12-8-7-9-13-16)17(18(21)22)14-10-5-3-2-4-6-11-15-20/h7-9,12-13,17,20H,2-6,10-11,14-15H2,1H3,(H,21,22).
What are the key properties of 11-hydroxy-2-(N-methylanilino)undecanoic acid?
11-hydroxy-2-(N-methylanilino)undecanoic acid has a molecular weight of 307.43 g/mol, XLogP of 3.69, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxy-2-(N-methylanilino)undecanoic acid is sourced from PubChem (CID 166002008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).