8-[[4-(dimethylamino)benzoyl]amino]octanoic acid

C17H26N2O3 — CID 10709803

IUPAC8-[[4-(dimethylamino)benzoyl]amino]octanoic acid
SMILESCN(C)c1ccc(C(=O)NCCCCCCCC(=O)O)cc1
InChIInChI=1S/C17H26N2O3/c1-19(2)15-11-9-14(10-12-15)17(22)18-13-7-5-3-4-6-8-16(20)21/h9-12H,3-8,13H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyULPKKNGPXGOTHF-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.91
Rot. Bonds10

About 8-[[4-(dimethylamino)benzoyl]amino]octanoic acid

8-[[4-(dimethylamino)benzoyl]amino]octanoic acid (PubChem CID 10709803) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 8-[[4-(dimethylamino)benzoyl]amino]octanoic acid.

Molecular Properties

Compound Name8-[[4-(dimethylamino)benzoyl]amino]octanoic acid
PubChem CID10709803
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name8-[[4-(dimethylamino)benzoyl]amino]octanoic acid
SMILESCN(C)c1ccc(C(=O)NCCCCCCCC(=O)O)cc1
InChIInChI=1S/C17H26N2O3/c1-19(2)15-11-9-14(10-12-15)17(22)18-13-7-5-3-4-6-8-16(20)21/h9-12H,3-8,13H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyULPKKNGPXGOTHF-UHFFFAOYSA-N
XLogP2.91
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.91
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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Frequently Asked Questions

What is the IUPAC name of 8-[[4-(dimethylamino)benzoyl]amino]octanoic acid?
The IUPAC name of 8-[[4-(dimethylamino)benzoyl]amino]octanoic acid (CID 10709803) is 8-[[4-(dimethylamino)benzoyl]amino]octanoic acid.
What is the SMILES notation for 8-[[4-(dimethylamino)benzoyl]amino]octanoic acid?
The canonical SMILES for 8-[[4-(dimethylamino)benzoyl]amino]octanoic acid is CN(C)c1ccc(C(=O)NCCCCCCCC(=O)O)cc1.
What is the InChIKey of 8-[[4-(dimethylamino)benzoyl]amino]octanoic acid?
The InChIKey is ULPKKNGPXGOTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-19(2)15-11-9-14(10-12-15)17(22)18-13-7-5-3-4-6-8-16(20)21/h9-12H,3-8,13H2,1-2H3,(H,18,22)(H,20,21).
What are the key properties of 8-[[4-(dimethylamino)benzoyl]amino]octanoic acid?
8-[[4-(dimethylamino)benzoyl]amino]octanoic acid has a molecular weight of 306.41 g/mol, XLogP of 2.91, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-(dimethylamino)benzoyl]amino]octanoic acid is sourced from PubChem (CID 10709803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).