[3-[2-(dipropylamino)ethyl]-1H-indol-6-yl] propanoate

C19H28N2O2 — CID 170558359

IUPAC[3-[2-(dipropylamino)ethyl]-1H-indol-6-yl] propanoate
SMILESCCCN(CCC)CCc1c[nH]c2cc(OC(=O)CC)ccc12
InChIInChI=1S/C19H28N2O2/c1-4-10-21(11-5-2)12-9-15-14-20-18-13-16(7-8-17(15)18)23-19(22)6-3/h7-8,13-14,20H,4-6,9-12H2,1-3H3
InChIKeyDGFGIKCHMRFAFU-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.15
Rot. Bonds9

About [3-[2-(dipropylamino)ethyl]-1H-indol-6-yl] propanoate

[3-[2-(dipropylamino)ethyl]-1H-indol-6-yl] propanoate (PubChem CID 170558359) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is [3-[2-(dipropylamino)ethyl]-1H-indol-6-yl] propanoate.

Molecular Properties

Compound Name[3-[2-(dipropylamino)ethyl]-1H-indol-6-yl] propanoate
PubChem CID170558359
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name[3-[2-(dipropylamino)ethyl]-1H-indol-6-yl] propanoate
SMILESCCCN(CCC)CCc1c[nH]c2cc(OC(=O)CC)ccc12
InChIInChI=1S/C19H28N2O2/c1-4-10-21(11-5-2)12-9-15-14-20-18-13-16(7-8-17(15)18)23-19(22)6-3/h7-8,13-14,20H,4-6,9-12H2,1-3H3
InChIKeyDGFGIKCHMRFAFU-UHFFFAOYSA-N
XLogP4.15
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.15
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-[ethyl(propyl)amino]ethyl]-1H-indol-6-yl] butanoate
CID 169222076
5-[[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl]oxy]-5-oxopentanoic acid
CID 169222605
[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-yl] propanoate
CID 169222529
4-[[3-[2-[bis(prop-2-enyl)amino]ethyl]-1H-indol-6-yl]oxy]-4-oxobutanoic acid
CID 169222568
[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl] trifluoromethanesulfonate
CID 10691904
3-[[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-6-yl]oxy]-3-oxopropanoic acid
CID 169222205
5-[[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-6-yl]oxy]-5-oxopentanoic acid
CID 169222343
[3-(2-acetamidoethyl)-1H-indol-6-yl] acetate
CID 169222411
[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl] propanoate
CID 169222165
6-[[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]oxy]hexanoic acid
CID 175491937
2-[[3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 169222368
4-[[3-[2-[ethyl(prop-2-enyl)amino]ethyl]-1H-indol-5-yl]oxy]-4-oxobutanoic acid
CID 169222564

Frequently Asked Questions

What is the IUPAC name of [3-[2-(dipropylamino)ethyl]-1H-indol-6-yl] propanoate?
The IUPAC name of [3-[2-(dipropylamino)ethyl]-1H-indol-6-yl] propanoate (CID 170558359) is [3-[2-(dipropylamino)ethyl]-1H-indol-6-yl] propanoate.
What is the SMILES notation for [3-[2-(dipropylamino)ethyl]-1H-indol-6-yl] propanoate?
The canonical SMILES for [3-[2-(dipropylamino)ethyl]-1H-indol-6-yl] propanoate is CCCN(CCC)CCc1c[nH]c2cc(OC(=O)CC)ccc12.
What is the InChIKey of [3-[2-(dipropylamino)ethyl]-1H-indol-6-yl] propanoate?
The InChIKey is DGFGIKCHMRFAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-4-10-21(11-5-2)12-9-15-14-20-18-13-16(7-8-17(15)18)23-19(22)6-3/h7-8,13-14,20H,4-6,9-12H2,1-3H3.
What are the key properties of [3-[2-(dipropylamino)ethyl]-1H-indol-6-yl] propanoate?
[3-[2-(dipropylamino)ethyl]-1H-indol-6-yl] propanoate has a molecular weight of 316.45 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(dipropylamino)ethyl]-1H-indol-6-yl] propanoate is sourced from PubChem (CID 170558359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).