ethyl 3-[3-indol-1-ylpropanoyl(methyl)amino]propanoate

C17H22N2O3 — CID 84557932

IUPACethyl 3-[3-indol-1-ylpropanoyl(methyl)amino]propanoate
SMILESCCOC(=O)CCN(C)C(=O)CCn1ccc2ccccc21
InChIInChI=1S/C17H22N2O3/c1-3-22-17(21)10-11-18(2)16(20)9-13-19-12-8-14-6-4-5-7-15(14)19/h4-8,12H,3,9-11,13H2,1-2H3
InChIKeyASGWUKQQXWIYNA-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.44
Rot. Bonds7

About ethyl 3-[3-indol-1-ylpropanoyl(methyl)amino]propanoate

ethyl 3-[3-indol-1-ylpropanoyl(methyl)amino]propanoate (PubChem CID 84557932) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is ethyl 3-[3-indol-1-ylpropanoyl(methyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-indol-1-ylpropanoyl(methyl)amino]propanoate
PubChem CID84557932
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Nameethyl 3-[3-indol-1-ylpropanoyl(methyl)amino]propanoate
SMILESCCOC(=O)CCN(C)C(=O)CCn1ccc2ccccc21
InChIInChI=1S/C17H22N2O3/c1-3-22-17(21)10-11-18(2)16(20)9-13-19-12-8-14-6-4-5-7-15(14)19/h4-8,12H,3,9-11,13H2,1-2H3
InChIKeyASGWUKQQXWIYNA-UHFFFAOYSA-N
XLogP2.44
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-indol-1-yl-N-methylpropanamide
CID 26286651
2-[3-indol-1-ylpropanoyl(propyl)amino]acetic acid
CID 119205084
ethyl 3-(5-hydroxyindol-1-yl)propanoate
CID 24971969
N-[(5-chloro-2-methoxyphenyl)methyl]-3-indol-1-yl-N-methylpropanamide
CID 40686377
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-indol-1-ylpropanoate
CID 55378755
ethyl 4-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]butanoate;hydroiodide
CID 111341048
ethyl 3-[methyl-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]amino]propanoate
CID 84561935
N-cyclohexyl-3-indol-1-yl-N-methylpropanamide
CID 84557875
ethyl (E)-3-[4-(3-indol-1-ylpropanoylamino)phenyl]prop-2-enoate
CID 27054675
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-indol-1-ylpropanoate
CID 24648877
N,N-bis(2-cyanoethyl)-3-indol-1-ylpropanamide
CID 51095546
3-indol-1-yl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
CID 38768085

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-indol-1-ylpropanoyl(methyl)amino]propanoate?
The IUPAC name of ethyl 3-[3-indol-1-ylpropanoyl(methyl)amino]propanoate (CID 84557932) is ethyl 3-[3-indol-1-ylpropanoyl(methyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[3-indol-1-ylpropanoyl(methyl)amino]propanoate?
The canonical SMILES for ethyl 3-[3-indol-1-ylpropanoyl(methyl)amino]propanoate is CCOC(=O)CCN(C)C(=O)CCn1ccc2ccccc21.
What is the InChIKey of ethyl 3-[3-indol-1-ylpropanoyl(methyl)amino]propanoate?
The InChIKey is ASGWUKQQXWIYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-3-22-17(21)10-11-18(2)16(20)9-13-19-12-8-14-6-4-5-7-15(14)19/h4-8,12H,3,9-11,13H2,1-2H3.
What are the key properties of ethyl 3-[3-indol-1-ylpropanoyl(methyl)amino]propanoate?
ethyl 3-[3-indol-1-ylpropanoyl(methyl)amino]propanoate has a molecular weight of 302.37 g/mol, XLogP of 2.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-indol-1-ylpropanoyl(methyl)amino]propanoate is sourced from PubChem (CID 84557932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).