1-[(7-methoxy-1H-indol-4-yl)oxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol

C21H26N2O5 — CID 44614179

IUPAC1-[(7-methoxy-1H-indol-4-yl)oxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
SMILESCOc1ccccc1OCCNCC(O)COc1ccc(OC)c2[nH]ccc12
InChIInChI=1S/C21H26N2O5/c1-25-18-5-3-4-6-19(18)27-12-11-22-13-15(24)14-28-17-7-8-20(26-2)21-16(17)9-10-23-21/h3-10,15,22-24H,11-14H2,1-2H3
InChIKeyLFDKEGHUMFONNH-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.59
Rot. Bonds11

About 1-[(7-methoxy-1H-indol-4-yl)oxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol

1-[(7-methoxy-1H-indol-4-yl)oxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol (PubChem CID 44614179) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is 1-[(7-methoxy-1H-indol-4-yl)oxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(7-methoxy-1H-indol-4-yl)oxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
PubChem CID44614179
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name1-[(7-methoxy-1H-indol-4-yl)oxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
SMILESCOc1ccccc1OCCNCC(O)COc1ccc(OC)c2[nH]ccc12
InChIInChI=1S/C21H26N2O5/c1-25-18-5-3-4-6-19(18)27-12-11-22-13-15(24)14-28-17-7-8-20(26-2)21-16(17)9-10-23-21/h3-10,15,22-24H,11-14H2,1-2H3
InChIKeyLFDKEGHUMFONNH-UHFFFAOYSA-N
XLogP2.59
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(7-methoxy-1H-indol-4-yl)oxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol?
The IUPAC name of 1-[(7-methoxy-1H-indol-4-yl)oxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol (CID 44614179) is 1-[(7-methoxy-1H-indol-4-yl)oxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol.
What is the SMILES notation for 1-[(7-methoxy-1H-indol-4-yl)oxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol?
The canonical SMILES for 1-[(7-methoxy-1H-indol-4-yl)oxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol is COc1ccccc1OCCNCC(O)COc1ccc(OC)c2[nH]ccc12.
What is the InChIKey of 1-[(7-methoxy-1H-indol-4-yl)oxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol?
The InChIKey is LFDKEGHUMFONNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-25-18-5-3-4-6-19(18)27-12-11-22-13-15(24)14-28-17-7-8-20(26-2)21-16(17)9-10-23-21/h3-10,15,22-24H,11-14H2,1-2H3.
What are the key properties of 1-[(7-methoxy-1H-indol-4-yl)oxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol?
1-[(7-methoxy-1H-indol-4-yl)oxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol has a molecular weight of 386.45 g/mol, XLogP of 2.59, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-methoxy-1H-indol-4-yl)oxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol is sourced from PubChem (CID 44614179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).