11-anilino-11-oxoundecanoic acid

C17H25NO3 — CID 150341840

IUPAC11-anilino-11-oxoundecanoic acid
SMILESO=C(O)CCCCCCCCCC(=O)Nc1ccccc1
InChIInChI=1S/C17H25NO3/c19-16(18-15-11-7-6-8-12-15)13-9-4-2-1-3-5-10-14-17(20)21/h6-8,11-12H,1-5,9-10,13-14H2,(H,18,19)(H,20,21)
InChIKeyGRWIABOLBTXLST-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.22
Rot. Bonds11

About 11-anilino-11-oxoundecanoic acid

11-anilino-11-oxoundecanoic acid (PubChem CID 150341840) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 11-anilino-11-oxoundecanoic acid.

Molecular Properties

Compound Name11-anilino-11-oxoundecanoic acid
PubChem CID150341840
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name11-anilino-11-oxoundecanoic acid
SMILESO=C(O)CCCCCCCCCC(=O)Nc1ccccc1
InChIInChI=1S/C17H25NO3/c19-16(18-15-11-7-6-8-12-15)13-9-4-2-1-3-5-10-14-17(20)21/h6-8,11-12H,1-5,9-10,13-14H2,(H,18,19)(H,20,21)
InChIKeyGRWIABOLBTXLST-UHFFFAOYSA-N
XLogP4.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
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

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N-phenylpentacosanamide
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N-phenyl-9-sulfanylnonanamide
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N-phenylheptatetracontanamide
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7-bromo-N-phenylheptanamide
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8-oxo-N-phenyloctanamide
CID 15739209
7-(4-fluoroanilino)-7-oxoheptanoic acid
CID 68559650
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Frequently Asked Questions

What is the IUPAC name of 11-anilino-11-oxoundecanoic acid?
The IUPAC name of 11-anilino-11-oxoundecanoic acid (CID 150341840) is 11-anilino-11-oxoundecanoic acid.
What is the SMILES notation for 11-anilino-11-oxoundecanoic acid?
The canonical SMILES for 11-anilino-11-oxoundecanoic acid is O=C(O)CCCCCCCCCC(=O)Nc1ccccc1.
What is the InChIKey of 11-anilino-11-oxoundecanoic acid?
The InChIKey is GRWIABOLBTXLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c19-16(18-15-11-7-6-8-12-15)13-9-4-2-1-3-5-10-14-17(20)21/h6-8,11-12H,1-5,9-10,13-14H2,(H,18,19)(H,20,21).
What are the key properties of 11-anilino-11-oxoundecanoic acid?
11-anilino-11-oxoundecanoic acid has a molecular weight of 291.39 g/mol, XLogP of 4.22, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-anilino-11-oxoundecanoic acid is sourced from PubChem (CID 150341840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).