6-[[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]oxy]hexanoic acid

C18H26N2O3 — CID 175491937

IUPAC6-[[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]oxy]hexanoic acid
SMILESCN(C)CCc1c[nH]c2cc(OCCCCCC(=O)O)ccc12
InChIInChI=1S/C18H26N2O3/c1-20(2)10-9-14-13-19-17-12-15(7-8-16(14)17)23-11-5-3-4-6-18(21)22/h7-8,12-13,19H,3-6,9-11H2,1-2H3,(H,21,22)
InChIKeyOAZXVFJGTAUZQQ-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.30
Rot. Bonds10

About 6-[[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]oxy]hexanoic acid

6-[[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]oxy]hexanoic acid (PubChem CID 175491937) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 6-[[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]oxy]hexanoic acid.

Molecular Properties

Compound Name6-[[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]oxy]hexanoic acid
PubChem CID175491937
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name6-[[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]oxy]hexanoic acid
SMILESCN(C)CCc1c[nH]c2cc(OCCCCCC(=O)O)ccc12
InChIInChI=1S/C18H26N2O3/c1-20(2)10-9-14-13-19-17-12-15(7-8-16(14)17)23-11-5-3-4-6-18(21)22/h7-8,12-13,19H,3-6,9-11H2,1-2H3,(H,21,22)
InChIKeyOAZXVFJGTAUZQQ-UHFFFAOYSA-N
XLogP3.30
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.30
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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Related Compounds

5-[[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-6-yl]oxy]-5-oxopentanoic acid
CID 169222343
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate;oxalic acid
CID 90674869
N,N-dimethyl-2-[(3-methyl-1H-indol-6-yl)oxy]ethanamine
CID 144980968
[3-[2-(dipropylamino)ethyl]-1H-indol-6-yl] propanoate
CID 170558359
4-[[3-[2-[bis(prop-2-enyl)amino]ethyl]-1H-indol-6-yl]oxy]-4-oxobutanoic acid
CID 169222568
5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid
CID 23336462
3-[[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-6-yl]oxy]-3-oxopropanoic acid
CID 169222205
4-[[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-indol-5-yl]oxy]butanoic acid
CID 177224791
2-[5-(4-methoxyphenoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid
CID 19042892
4-[[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-yl]oxy]-4-oxobutanoic acid
CID 169222132
2-[6-[3-[3-[(4-methylphenyl)methoxy]phenoxy]propoxy]-1H-indol-3-yl]acetic acid
CID 122183544
[3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-6-yl] butanoate
CID 169222076

Frequently Asked Questions

What is the IUPAC name of 6-[[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]oxy]hexanoic acid?
The IUPAC name of 6-[[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]oxy]hexanoic acid (CID 175491937) is 6-[[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]oxy]hexanoic acid.
What is the SMILES notation for 6-[[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]oxy]hexanoic acid?
The canonical SMILES for 6-[[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]oxy]hexanoic acid is CN(C)CCc1c[nH]c2cc(OCCCCCC(=O)O)ccc12.
What is the InChIKey of 6-[[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]oxy]hexanoic acid?
The InChIKey is OAZXVFJGTAUZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-20(2)10-9-14-13-19-17-12-15(7-8-16(14)17)23-11-5-3-4-6-18(21)22/h7-8,12-13,19H,3-6,9-11H2,1-2H3,(H,21,22).
What are the key properties of 6-[[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]oxy]hexanoic acid?
6-[[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]oxy]hexanoic acid has a molecular weight of 318.42 g/mol, XLogP of 3.30, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]oxy]hexanoic acid is sourced from PubChem (CID 175491937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).