6-[[4-(dimethylamino)benzoyl]amino]hexanoic acid

C15H22N2O3 — CID 23092260

IUPAC6-[[4-(dimethylamino)benzoyl]amino]hexanoic acid
SMILESCN(C)c1ccc(C(=O)NCCCCCC(=O)O)cc1
InChIInChI=1S/C15H22N2O3/c1-17(2)13-9-7-12(8-10-13)15(20)16-11-5-3-4-6-14(18)19/h7-10H,3-6,11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyLMAIBTXHKJHJTP-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.13
Rot. Bonds8

About 6-[[4-(dimethylamino)benzoyl]amino]hexanoic acid

6-[[4-(dimethylamino)benzoyl]amino]hexanoic acid (PubChem CID 23092260) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 6-[[4-(dimethylamino)benzoyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[4-(dimethylamino)benzoyl]amino]hexanoic acid
PubChem CID23092260
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name6-[[4-(dimethylamino)benzoyl]amino]hexanoic acid
SMILESCN(C)c1ccc(C(=O)NCCCCCC(=O)O)cc1
InChIInChI=1S/C15H22N2O3/c1-17(2)13-9-7-12(8-10-13)15(20)16-11-5-3-4-6-14(18)19/h7-10H,3-6,11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyLMAIBTXHKJHJTP-UHFFFAOYSA-N
XLogP2.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[[4-(dimethylamino)benzoyl]amino]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(dimethylamino)benzoyl]amino]hexanoic acid?
The IUPAC name of 6-[[4-(dimethylamino)benzoyl]amino]hexanoic acid (CID 23092260) is 6-[[4-(dimethylamino)benzoyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[4-(dimethylamino)benzoyl]amino]hexanoic acid?
The canonical SMILES for 6-[[4-(dimethylamino)benzoyl]amino]hexanoic acid is CN(C)c1ccc(C(=O)NCCCCCC(=O)O)cc1.
What is the InChIKey of 6-[[4-(dimethylamino)benzoyl]amino]hexanoic acid?
The InChIKey is LMAIBTXHKJHJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-17(2)13-9-7-12(8-10-13)15(20)16-11-5-3-4-6-14(18)19/h7-10H,3-6,11H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 6-[[4-(dimethylamino)benzoyl]amino]hexanoic acid?
6-[[4-(dimethylamino)benzoyl]amino]hexanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(dimethylamino)benzoyl]amino]hexanoic acid is sourced from PubChem (CID 23092260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).