[3-(2-aminoacetyl)-1-benzylindol-5-yl]oxy-oxo-propoxyphosphanium

C20H22N2O4P+ — CID 67727292

IUPAC[3-(2-aminoacetyl)-1-benzylindol-5-yl]oxy-oxo-propoxyphosphanium
SMILESCCCO[P+](=O)Oc1ccc2c(c1)c(C(=O)CN)cn2Cc1ccccc1
InChIInChI=1S/C20H22N2O4P/c1-2-10-25-27(24)26-16-8-9-19-17(11-16)18(20(23)12-21)14-22(19)13-15-6-4-3-5-7-15/h3-9,11,14H,2,10,12-13,21H2,1H3/q+1
InChIKeyWOOHMHFYXRDHKV-UHFFFAOYSA-N
MW385.38 g/mol
LogP4.29
Rot. Bonds9

About [3-(2-aminoacetyl)-1-benzylindol-5-yl]oxy-oxo-propoxyphosphanium

[3-(2-aminoacetyl)-1-benzylindol-5-yl]oxy-oxo-propoxyphosphanium (PubChem CID 67727292) has the molecular formula C20H22N2O4P+ and a molecular weight of 385.38 g/mol. Its IUPAC name is [3-(2-aminoacetyl)-1-benzylindol-5-yl]oxy-oxo-propoxyphosphanium.

Molecular Properties

Compound Name[3-(2-aminoacetyl)-1-benzylindol-5-yl]oxy-oxo-propoxyphosphanium
PubChem CID67727292
Molecular FormulaC20H22N2O4P+
Molecular Weight385.38 g/mol
Exact Mass385.13
IUPAC Name[3-(2-aminoacetyl)-1-benzylindol-5-yl]oxy-oxo-propoxyphosphanium
SMILESCCCO[P+](=O)Oc1ccc2c(c1)c(C(=O)CN)cn2Cc1ccccc1
InChIInChI=1S/C20H22N2O4P/c1-2-10-25-27(24)26-16-8-9-19-17(11-16)18(20(23)12-21)14-22(19)13-15-6-4-3-5-7-15/h3-9,11,14H,2,10,12-13,21H2,1H3/q+1
InChIKeyWOOHMHFYXRDHKV-UHFFFAOYSA-N
XLogP4.29
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoacetyl)-1-benzylindol-5-yl]oxy-oxo-propoxyphosphanium?
The IUPAC name of [3-(2-aminoacetyl)-1-benzylindol-5-yl]oxy-oxo-propoxyphosphanium (CID 67727292) is [3-(2-aminoacetyl)-1-benzylindol-5-yl]oxy-oxo-propoxyphosphanium.
What is the SMILES notation for [3-(2-aminoacetyl)-1-benzylindol-5-yl]oxy-oxo-propoxyphosphanium?
The canonical SMILES for [3-(2-aminoacetyl)-1-benzylindol-5-yl]oxy-oxo-propoxyphosphanium is CCCO[P+](=O)Oc1ccc2c(c1)c(C(=O)CN)cn2Cc1ccccc1.
What is the InChIKey of [3-(2-aminoacetyl)-1-benzylindol-5-yl]oxy-oxo-propoxyphosphanium?
The InChIKey is WOOHMHFYXRDHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4P/c1-2-10-25-27(24)26-16-8-9-19-17(11-16)18(20(23)12-21)14-22(19)13-15-6-4-3-5-7-15/h3-9,11,14H,2,10,12-13,21H2,1H3/q+1.
What are the key properties of [3-(2-aminoacetyl)-1-benzylindol-5-yl]oxy-oxo-propoxyphosphanium?
[3-(2-aminoacetyl)-1-benzylindol-5-yl]oxy-oxo-propoxyphosphanium has a molecular weight of 385.38 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoacetyl)-1-benzylindol-5-yl]oxy-oxo-propoxyphosphanium is sourced from PubChem (CID 67727292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).