11-(N-benzoylanilino)undecanoic acid

C24H31NO3 — CID 10068419

IUPAC11-(N-benzoylanilino)undecanoic acid
SMILESO=C(O)CCCCCCCCCCN(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31NO3/c26-23(27)19-13-5-3-1-2-4-6-14-20-25(22-17-11-8-12-18-22)24(28)21-15-9-7-10-16-21/h7-12,15-18H,1-6,13-14,19-20H2,(H,26,27)
InChIKeyGXMOAONBEGOAPM-UHFFFAOYSA-N
MW381.52 g/mol
LogP5.93
Rot. Bonds13

About 11-(N-benzoylanilino)undecanoic acid

11-(N-benzoylanilino)undecanoic acid (PubChem CID 10068419) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 11-(N-benzoylanilino)undecanoic acid.

Molecular Properties

Compound Name11-(N-benzoylanilino)undecanoic acid
PubChem CID10068419
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Name11-(N-benzoylanilino)undecanoic acid
SMILESO=C(O)CCCCCCCCCCN(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31NO3/c26-23(27)19-13-5-3-1-2-4-6-14-20-25(22-17-11-8-12-18-22)24(28)21-15-9-7-10-16-21/h7-12,15-18H,1-6,13-14,19-20H2,(H,26,27)
InChIKeyGXMOAONBEGOAPM-UHFFFAOYSA-N
XLogP5.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.93
H-Bond Donors ≤ 51
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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Cay10583
CID 51529932
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(S)-Indoprofen
CID 68700

Frequently Asked Questions

What is the IUPAC name of 11-(N-benzoylanilino)undecanoic acid?
The IUPAC name of 11-(N-benzoylanilino)undecanoic acid (CID 10068419) is 11-(N-benzoylanilino)undecanoic acid.
What is the SMILES notation for 11-(N-benzoylanilino)undecanoic acid?
The canonical SMILES for 11-(N-benzoylanilino)undecanoic acid is O=C(O)CCCCCCCCCCN(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 11-(N-benzoylanilino)undecanoic acid?
The InChIKey is GXMOAONBEGOAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3/c26-23(27)19-13-5-3-1-2-4-6-14-20-25(22-17-11-8-12-18-22)24(28)21-15-9-7-10-16-21/h7-12,15-18H,1-6,13-14,19-20H2,(H,26,27).
What are the key properties of 11-(N-benzoylanilino)undecanoic acid?
11-(N-benzoylanilino)undecanoic acid has a molecular weight of 381.52 g/mol, XLogP of 5.93, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(N-benzoylanilino)undecanoic acid is sourced from PubChem (CID 10068419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).