[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-yl] propanoate

C17H24N2O2 — CID 169222529

IUPAC[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-yl] propanoate
SMILESCCC(=O)Oc1ccc2[nH]cc(CCN(C)C(C)C)c2c1
InChIInChI=1S/C17H24N2O2/c1-5-17(20)21-14-6-7-16-15(10-14)13(11-18-16)8-9-19(4)12(2)3/h6-7,10-12,18H,5,8-9H2,1-4H3
InChIKeyWKDVBBAITYSMNO-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.37
Rot. Bonds6

About [3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-yl] propanoate

[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-yl] propanoate (PubChem CID 169222529) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is [3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-yl] propanoate.

Molecular Properties

Compound Name[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-yl] propanoate
PubChem CID169222529
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-yl] propanoate
SMILESCCC(=O)Oc1ccc2[nH]cc(CCN(C)C(C)C)c2c1
InChIInChI=1S/C17H24N2O2/c1-5-17(20)21-14-6-7-16-15(10-14)13(11-18-16)8-9-19(4)12(2)3/h6-7,10-12,18H,5,8-9H2,1-4H3
InChIKeyWKDVBBAITYSMNO-UHFFFAOYSA-N
XLogP3.37
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

4-[[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-yl]oxy]-4-oxobutanoic acid
CID 169222132
[3-[2-(dipropylamino)ethyl]-1H-indol-6-yl] propanoate
CID 170558359
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate;oxalic acid
CID 90674869
[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl] propanoate
CID 169222165
N,N-dimethyl-2-[5-(4-methylpentan-2-yloxy)-1H-indol-3-yl]ethanamine
CID 123587911
N-methyl-N-[2-(5-propan-2-yloxy-1H-indol-3-yl)ethyl]propan-1-amine
CID 177026311
5-[[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl]oxy]-5-oxopentanoic acid
CID 169222605
6-hydroxy-6-oxohexanoate;2-(5-propanoyloxy-1H-indol-3-yl)ethylazanium
CID 29712
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylacetamide
CID 22367215
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 24802109
[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl] trifluoromethanesulfonate
CID 10691904
2-[5-(4-methoxyphenoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid
CID 19042892

Frequently Asked Questions

What is the IUPAC name of [3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-yl] propanoate?
The IUPAC name of [3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-yl] propanoate (CID 169222529) is [3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-yl] propanoate.
What is the SMILES notation for [3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-yl] propanoate?
The canonical SMILES for [3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-yl] propanoate is CCC(=O)Oc1ccc2[nH]cc(CCN(C)C(C)C)c2c1.
What is the InChIKey of [3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-yl] propanoate?
The InChIKey is WKDVBBAITYSMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-17(20)21-14-6-7-16-15(10-14)13(11-18-16)8-9-19(4)12(2)3/h6-7,10-12,18H,5,8-9H2,1-4H3.
What are the key properties of [3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-yl] propanoate?
[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-yl] propanoate has a molecular weight of 288.39 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-yl] propanoate is sourced from PubChem (CID 169222529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).