6-[(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]hexanoic acid

C21H33NO4 — CID 23224897

IUPAC6-[(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]hexanoic acid
SMILESCCCN(CCCCCC(=O)O)C1CCc2c(ccc(OC)c2OC)C1
InChIInChI=1S/C21H33NO4/c1-4-13-22(14-7-5-6-8-20(23)24)17-10-11-18-16(15-17)9-12-19(25-2)21(18)26-3/h9,12,17H,4-8,10-11,13-15H2,1-3H3,(H,23,24)
InChIKeyFJXCAHBPMFEMDY-UHFFFAOYSA-N
MW363.50 g/mol
LogP3.92
Rot. Bonds11

About 6-[(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]hexanoic acid

6-[(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]hexanoic acid (PubChem CID 23224897) has the molecular formula C21H33NO4 and a molecular weight of 363.50 g/mol. Its IUPAC name is 6-[(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]hexanoic acid.

Molecular Properties

Compound Name6-[(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]hexanoic acid
PubChem CID23224897
Molecular FormulaC21H33NO4
Molecular Weight363.50 g/mol
Exact Mass363.24
IUPAC Name6-[(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]hexanoic acid
SMILESCCCN(CCCCCC(=O)O)C1CCc2c(ccc(OC)c2OC)C1
InChIInChI=1S/C21H33NO4/c1-4-13-22(14-7-5-6-8-20(23)24)17-10-11-18-16(15-17)9-12-19(25-2)21(18)26-3/h9,12,17H,4-8,10-11,13-15H2,1-3H3,(H,23,24)
InChIKeyFJXCAHBPMFEMDY-UHFFFAOYSA-N
XLogP3.92
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]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-[(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]hexanoic acid?
The IUPAC name of 6-[(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]hexanoic acid (CID 23224897) is 6-[(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]hexanoic acid.
What is the SMILES notation for 6-[(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]hexanoic acid?
The canonical SMILES for 6-[(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]hexanoic acid is CCCN(CCCCCC(=O)O)C1CCc2c(ccc(OC)c2OC)C1.
What is the InChIKey of 6-[(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]hexanoic acid?
The InChIKey is FJXCAHBPMFEMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO4/c1-4-13-22(14-7-5-6-8-20(23)24)17-10-11-18-16(15-17)9-12-19(25-2)21(18)26-3/h9,12,17H,4-8,10-11,13-15H2,1-3H3,(H,23,24).
What are the key properties of 6-[(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]hexanoic acid?
6-[(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]hexanoic acid has a molecular weight of 363.50 g/mol, XLogP of 3.92, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]hexanoic acid is sourced from PubChem (CID 23224897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).