9-(N-benzoylanilino)nonanoic acid

C22H27NO3 — CID 10066664

IUPAC9-(N-benzoylanilino)nonanoic acid
SMILESO=C(O)CCCCCCCCN(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO3/c24-21(25)17-11-3-1-2-4-12-18-23(20-15-9-6-10-16-20)22(26)19-13-7-5-8-14-19/h5-10,13-16H,1-4,11-12,17-18H2,(H,24,25)
InChIKeyYTAUBUQBFILCNE-UHFFFAOYSA-N
MW353.46 g/mol
LogP5.15
Rot. Bonds11

About 9-(N-benzoylanilino)nonanoic acid

9-(N-benzoylanilino)nonanoic acid (PubChem CID 10066664) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 9-(N-benzoylanilino)nonanoic acid.

Molecular Properties

Compound Name9-(N-benzoylanilino)nonanoic acid
PubChem CID10066664
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name9-(N-benzoylanilino)nonanoic acid
SMILESO=C(O)CCCCCCCCN(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO3/c24-21(25)17-11-3-1-2-4-12-18-23(20-15-9-6-10-16-20)22(26)19-13-7-5-8-14-19/h5-10,13-16H,1-4,11-12,17-18H2,(H,24,25)
InChIKeyYTAUBUQBFILCNE-UHFFFAOYSA-N
XLogP5.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.46
LogP ≤ 55.15
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

8-(4-hydroxy-N-(3-hydroxybenzoyl)anilino)octanoic acid
CID 13025812
8-(N-(4-chlorobenzoyl)-4-hydroxyanilino)octanoic acid
CID 13025810
N-[2-(octanoylamino)ethyl]-N-phenylbenzamide
CID 42704591
N-[3-(pentanoylamino)propyl]-N-phenylbenzamide
CID 42705905
N-hexadecyl-4-methoxy-N-phenylbenzamide
CID 13203872
4-[N-(3-aminopropanoyl)anilino]butanoic acid
CID 61161462
4-bromo-N-butyl-N-phenylbenzamide
CID 3934058
4-benzamido-N-butyl-N-phenylbenzamide
CID 17153379
4-[N-(2,3-dihydro-1,4-dioxine-5-carbonyl)anilino]butanoic acid
CID 60832514
3-bromo-N-butyl-N-phenylbenzamide
CID 17256559
4-[N-(2-methylpropylcarbamoyl)anilino]butanoic acid
CID 61188835
3-(N-octanoylanilino)propanoic acid
CID 60831115

Frequently Asked Questions

What is the IUPAC name of 9-(N-benzoylanilino)nonanoic acid?
The IUPAC name of 9-(N-benzoylanilino)nonanoic acid (CID 10066664) is 9-(N-benzoylanilino)nonanoic acid.
What is the SMILES notation for 9-(N-benzoylanilino)nonanoic acid?
The canonical SMILES for 9-(N-benzoylanilino)nonanoic acid is O=C(O)CCCCCCCCN(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 9-(N-benzoylanilino)nonanoic acid?
The InChIKey is YTAUBUQBFILCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c24-21(25)17-11-3-1-2-4-12-18-23(20-15-9-6-10-16-20)22(26)19-13-7-5-8-14-19/h5-10,13-16H,1-4,11-12,17-18H2,(H,24,25).
What are the key properties of 9-(N-benzoylanilino)nonanoic acid?
9-(N-benzoylanilino)nonanoic acid has a molecular weight of 353.46 g/mol, XLogP of 5.15, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(N-benzoylanilino)nonanoic acid is sourced from PubChem (CID 10066664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).