[3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-7-yl] acetate

C17H24N2O2 — CID 156836278

IUPAC[3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-7-yl] acetate
SMILESCCCN(CC)CCc1c[nH]c2c(OC(C)=O)cccc12
InChIInChI=1S/C17H24N2O2/c1-4-10-19(5-2)11-9-14-12-18-17-15(14)7-6-8-16(17)21-13(3)20/h6-8,12,18H,4-5,9-11H2,1-3H3
InChIKeyBMKFXPLANBJCAP-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.37
Rot. Bonds7

About [3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-7-yl] acetate

[3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-7-yl] acetate (PubChem CID 156836278) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is [3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-7-yl] acetate.

Molecular Properties

Compound Name[3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-7-yl] acetate
PubChem CID156836278
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name[3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-7-yl] acetate
SMILESCCCN(CC)CCc1c[nH]c2c(OC(C)=O)cccc12
InChIInChI=1S/C17H24N2O2/c1-4-10-19(5-2)11-9-14-12-18-17-15(14)7-6-8-16(17)21-13(3)20/h6-8,12,18H,4-5,9-11H2,1-3H3
InChIKeyBMKFXPLANBJCAP-UHFFFAOYSA-N
XLogP3.37
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(2-acetamidoethyl)-1H-indol-7-yl] acetate
CID 169222521
6-[[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-7-yl]oxy]-6-oxohexanoic acid
CID 169222144
[3-[2-(diethylamino)ethyl]-1H-indol-4-yl] butanoate
CID 169222315
[3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-6-yl] butanoate
CID 169222076
N-ethyl-N-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]propan-1-amine
CID 166157959
N-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]propan-1-amine
CID 156836218
(7-hydroxy-1H-indol-3-yl) acetate
CID 174769311
[3-[2-[fluoromethyl(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate
CID 167499904
ethane;N-ethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine
CID 156836181
[3-[2-(dipropylamino)ethyl]-1H-indol-6-yl] propanoate
CID 170558359
N-ethyl-N-[2-(5-methoxy-6-methyl-1H-indol-3-yl)ethyl]propan-1-amine
CID 168946991
N-[2-(7-methoxy-1H-indol-3-yl)ethyl]-N-methylprop-2-en-1-amine
CID 169222305

Frequently Asked Questions

What is the IUPAC name of [3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-7-yl] acetate?
The IUPAC name of [3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-7-yl] acetate (CID 156836278) is [3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-7-yl] acetate.
What is the SMILES notation for [3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-7-yl] acetate?
The canonical SMILES for [3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-7-yl] acetate is CCCN(CC)CCc1c[nH]c2c(OC(C)=O)cccc12.
What is the InChIKey of [3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-7-yl] acetate?
The InChIKey is BMKFXPLANBJCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-10-19(5-2)11-9-14-12-18-17-15(14)7-6-8-16(17)21-13(3)20/h6-8,12,18H,4-5,9-11H2,1-3H3.
What are the key properties of [3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-7-yl] acetate?
[3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-7-yl] acetate has a molecular weight of 288.39 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-7-yl] acetate is sourced from PubChem (CID 156836278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).