8-oxo-8-(4-phenylanilino)octanoic acid

C20H23NO3 — CID 23092302

IUPAC8-oxo-8-(4-phenylanilino)octanoic acid
SMILESO=C(O)CCCCCCC(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H23NO3/c22-19(10-6-1-2-7-11-20(23)24)21-18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-5,8-9,12-15H,1-2,6-7,10-11H2,(H,21,22)(H,23,24)
InChIKeyMQFVKGPSUQYIHQ-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.72
Rot. Bonds9

About 8-oxo-8-(4-phenylanilino)octanoic acid

8-oxo-8-(4-phenylanilino)octanoic acid (PubChem CID 23092302) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 8-oxo-8-(4-phenylanilino)octanoic acid.

Molecular Properties

Compound Name8-oxo-8-(4-phenylanilino)octanoic acid
PubChem CID23092302
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name8-oxo-8-(4-phenylanilino)octanoic acid
SMILESO=C(O)CCCCCCC(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H23NO3/c22-19(10-6-1-2-7-11-20(23)24)21-18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-5,8-9,12-15H,1-2,6-7,10-11H2,(H,21,22)(H,23,24)
InChIKeyMQFVKGPSUQYIHQ-UHFFFAOYSA-N
XLogP4.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.72
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

11-anilino-11-oxoundecanoic acid
CID 150341840
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
4-hydroxy-N-(4-phenylphenyl)butanamide
CID 79192454
4-bromo-N-(4-phenylphenyl)butanamide
CID 45379211
8-(4-hydroxyanilino)-8-oxooctanoic acid
CID 59835382
4-[4-[4-(3-carboxypropanoylamino)phenyl]anilino]-4-oxobutanoic acid
CID 18877617
7-(4-fluoroanilino)-7-oxoheptanoic acid
CID 68559650
1,1'-biphenyl;8-(hydroxyamino)-8-oxooctanoic acid
CID 87482835
8-[4-(hydroxymethyl)anilino]-8-oxooctanoic acid
CID 57326777
3-amino-N-(4-phenylphenyl)propanamide;hydrochloride
CID 44769625
6-oxo-6-(4-sulfanylanilino)hexanoic acid
CID 139939209
1,1'-biphenyl;decanedioic acid;hydrazine
CID 159076350

Frequently Asked Questions

What is the IUPAC name of 8-oxo-8-(4-phenylanilino)octanoic acid?
The IUPAC name of 8-oxo-8-(4-phenylanilino)octanoic acid (CID 23092302) is 8-oxo-8-(4-phenylanilino)octanoic acid.
What is the SMILES notation for 8-oxo-8-(4-phenylanilino)octanoic acid?
The canonical SMILES for 8-oxo-8-(4-phenylanilino)octanoic acid is O=C(O)CCCCCCC(=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 8-oxo-8-(4-phenylanilino)octanoic acid?
The InChIKey is MQFVKGPSUQYIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c22-19(10-6-1-2-7-11-20(23)24)21-18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-5,8-9,12-15H,1-2,6-7,10-11H2,(H,21,22)(H,23,24).
What are the key properties of 8-oxo-8-(4-phenylanilino)octanoic acid?
8-oxo-8-(4-phenylanilino)octanoic acid has a molecular weight of 325.41 g/mol, XLogP of 4.72, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-8-(4-phenylanilino)octanoic acid is sourced from PubChem (CID 23092302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).