ethyl 2-[7-[(tert-butylamino)methyl]indol-1-yl]acetate

C17H24N2O2 — CID 102915277

IUPACethyl 2-[7-[(tert-butylamino)methyl]indol-1-yl]acetate
SMILESCCOC(=O)Cn1ccc2cccc(CNC(C)(C)C)c21
InChIInChI=1S/C17H24N2O2/c1-5-21-15(20)12-19-10-9-13-7-6-8-14(16(13)19)11-18-17(2,3)4/h6-10,18H,5,11-12H2,1-4H3
InChIKeyZCVRNDDFDIKLBS-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.09
Rot. Bonds5

About ethyl 2-[7-[(tert-butylamino)methyl]indol-1-yl]acetate

ethyl 2-[7-[(tert-butylamino)methyl]indol-1-yl]acetate (PubChem CID 102915277) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is ethyl 2-[7-[(tert-butylamino)methyl]indol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[7-[(tert-butylamino)methyl]indol-1-yl]acetate
PubChem CID102915277
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Nameethyl 2-[7-[(tert-butylamino)methyl]indol-1-yl]acetate
SMILESCCOC(=O)Cn1ccc2cccc(CNC(C)(C)C)c21
InChIInChI=1S/C17H24N2O2/c1-5-21-15(20)12-19-10-9-13-7-6-8-14(16(13)19)11-18-17(2,3)4/h6-10,18H,5,11-12H2,1-4H3
InChIKeyZCVRNDDFDIKLBS-UHFFFAOYSA-N
XLogP3.09
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[7-[(tert-butylamino)methyl]indol-1-yl]acetate?
The IUPAC name of ethyl 2-[7-[(tert-butylamino)methyl]indol-1-yl]acetate (CID 102915277) is ethyl 2-[7-[(tert-butylamino)methyl]indol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[7-[(tert-butylamino)methyl]indol-1-yl]acetate?
The canonical SMILES for ethyl 2-[7-[(tert-butylamino)methyl]indol-1-yl]acetate is CCOC(=O)Cn1ccc2cccc(CNC(C)(C)C)c21.
What is the InChIKey of ethyl 2-[7-[(tert-butylamino)methyl]indol-1-yl]acetate?
The InChIKey is ZCVRNDDFDIKLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-21-15(20)12-19-10-9-13-7-6-8-14(16(13)19)11-18-17(2,3)4/h6-10,18H,5,11-12H2,1-4H3.
What are the key properties of ethyl 2-[7-[(tert-butylamino)methyl]indol-1-yl]acetate?
ethyl 2-[7-[(tert-butylamino)methyl]indol-1-yl]acetate has a molecular weight of 288.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[7-[(tert-butylamino)methyl]indol-1-yl]acetate is sourced from PubChem (CID 102915277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).