[3-[[3-(2-amino-2-oxoethyl)-1-(phenylmethyl)-1H-indol-5-yl]oxy]propyl]phosphonic acid dimethyl ester

HCID 10550559
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Basic information

Standard SMILES
COP(=O)(CCCOc1ccc2c(c1)c(CC(N)=O)cn2Cc1ccccc1)OC
InChIKey
DEOXGYQQZTVBQG-UHFFFAOYSA-N
Molecular formula
C22H27N2O5P
Average molar mass
430.4 g/mol
Monoisotopic mass
430.16575896

Names & identifiers

Preferred name
[3-[[3-(2-amino-2-oxoethyl)-1-(phenylmethyl)-1H-indol-5-yl]oxy]propyl]phosphonic acid dimethyl ester
IUPAC
2-[1-benzyl-5-(3-dimethoxyphosphorylpropoxy)indol-3-yl]acetamide

Names & synonyms

SCHEMBL7961582DEOXGYQQZTVBQG-UHFFFAOYSA-N[3-[[3-(2-amino-2-oxoethyl)-1-(phenylmethyl)-1H-indol-5-yl]oxy]propyl]phosphonic acid dimethyl ester

Database identifiers

PubChem CID
10550559

Properties

Computed structural properties

XLogP
2
Topological polar surface area
92.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
11
Heavy atoms
30

Related reactions

1 records
New reaction record

Compound notes

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