[4-[2-(tert-butylamino)acetyl]-7-methoxy-1H-indol-2-yl] methyl carbonate;hydrochloride

C17H23ClN2O5 — CID 70474658

IUPAC[4-[2-(tert-butylamino)acetyl]-7-methoxy-1H-indol-2-yl] methyl carbonate;hydrochloride
SMILESCOC(=O)Oc1cc2c(C(=O)CNC(C)(C)C)ccc(OC)c2[nH]1.Cl
InChIInChI=1S/C17H22N2O5.ClH/c1-17(2,3)18-9-12(20)10-6-7-13(22-4)15-11(10)8-14(19-15)24-16(21)23-5;/h6-8,18-19H,9H2,1-5H3;1H
InChIKeyKOONMITUWGROBY-UHFFFAOYSA-N
MW370.83 g/mol
LogP3.31
Rot. Bonds5

About [4-[2-(tert-butylamino)acetyl]-7-methoxy-1H-indol-2-yl] methyl carbonate;hydrochloride

[4-[2-(tert-butylamino)acetyl]-7-methoxy-1H-indol-2-yl] methyl carbonate;hydrochloride (PubChem CID 70474658) has the molecular formula C17H23ClN2O5 and a molecular weight of 370.83 g/mol. Its IUPAC name is [4-[2-(tert-butylamino)acetyl]-7-methoxy-1H-indol-2-yl] methyl carbonate;hydrochloride.

Molecular Properties

Compound Name[4-[2-(tert-butylamino)acetyl]-7-methoxy-1H-indol-2-yl] methyl carbonate;hydrochloride
PubChem CID70474658
Molecular FormulaC17H23ClN2O5
Molecular Weight370.83 g/mol
Exact Mass370.13
IUPAC Name[4-[2-(tert-butylamino)acetyl]-7-methoxy-1H-indol-2-yl] methyl carbonate;hydrochloride
SMILESCOC(=O)Oc1cc2c(C(=O)CNC(C)(C)C)ccc(OC)c2[nH]1.Cl
InChIInChI=1S/C17H22N2O5.ClH/c1-17(2,3)18-9-12(20)10-6-7-13(22-4)15-11(10)8-14(19-15)24-16(21)23-5;/h6-8,18-19H,9H2,1-5H3;1H
InChIKeyKOONMITUWGROBY-UHFFFAOYSA-N
XLogP3.31
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(tert-butylamino)acetyl]-7-methoxy-1H-indol-2-yl] methyl carbonate;hydrochloride?
The IUPAC name of [4-[2-(tert-butylamino)acetyl]-7-methoxy-1H-indol-2-yl] methyl carbonate;hydrochloride (CID 70474658) is [4-[2-(tert-butylamino)acetyl]-7-methoxy-1H-indol-2-yl] methyl carbonate;hydrochloride.
What is the SMILES notation for [4-[2-(tert-butylamino)acetyl]-7-methoxy-1H-indol-2-yl] methyl carbonate;hydrochloride?
The canonical SMILES for [4-[2-(tert-butylamino)acetyl]-7-methoxy-1H-indol-2-yl] methyl carbonate;hydrochloride is COC(=O)Oc1cc2c(C(=O)CNC(C)(C)C)ccc(OC)c2[nH]1.Cl.
What is the InChIKey of [4-[2-(tert-butylamino)acetyl]-7-methoxy-1H-indol-2-yl] methyl carbonate;hydrochloride?
The InChIKey is KOONMITUWGROBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5.ClH/c1-17(2,3)18-9-12(20)10-6-7-13(22-4)15-11(10)8-14(19-15)24-16(21)23-5;/h6-8,18-19H,9H2,1-5H3;1H.
What are the key properties of [4-[2-(tert-butylamino)acetyl]-7-methoxy-1H-indol-2-yl] methyl carbonate;hydrochloride?
[4-[2-(tert-butylamino)acetyl]-7-methoxy-1H-indol-2-yl] methyl carbonate;hydrochloride has a molecular weight of 370.83 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(tert-butylamino)acetyl]-7-methoxy-1H-indol-2-yl] methyl carbonate;hydrochloride is sourced from PubChem (CID 70474658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).