[1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-yl] 2-(2-methoxyphenyl)acetate

C23H28N2O4 — CID 15289315

IUPAC[1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-yl] 2-(2-methoxyphenyl)acetate
SMILESCOc1ccccc1CC(=O)OC(CNC(C)C)COc1cccc2[nH]ccc12
InChIInChI=1S/C23H28N2O4/c1-16(2)25-14-18(15-28-22-10-6-8-20-19(22)11-12-24-20)29-23(26)13-17-7-4-5-9-21(17)27-3/h4-12,16,18,24-25H,13-15H2,1-3H3
InChIKeyQCWIVCKUGYTYLZ-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.71
Rot. Bonds10

About [1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-yl] 2-(2-methoxyphenyl)acetate

[1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-yl] 2-(2-methoxyphenyl)acetate (PubChem CID 15289315) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is [1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-yl] 2-(2-methoxyphenyl)acetate.

Molecular Properties

Compound Name[1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-yl] 2-(2-methoxyphenyl)acetate
PubChem CID15289315
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name[1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-yl] 2-(2-methoxyphenyl)acetate
SMILESCOc1ccccc1CC(=O)OC(CNC(C)C)COc1cccc2[nH]ccc12
InChIInChI=1S/C23H28N2O4/c1-16(2)25-14-18(15-28-22-10-6-8-20-19(22)11-12-24-20)29-23(26)13-17-7-4-5-9-21(17)27-3/h4-12,16,18,24-25H,13-15H2,1-3H3
InChIKeyQCWIVCKUGYTYLZ-UHFFFAOYSA-N
XLogP3.71
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-yl] 2-(2-methoxyphenyl)acetate?
The IUPAC name of [1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-yl] 2-(2-methoxyphenyl)acetate (CID 15289315) is [1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-yl] 2-(2-methoxyphenyl)acetate.
What is the SMILES notation for [1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-yl] 2-(2-methoxyphenyl)acetate?
The canonical SMILES for [1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-yl] 2-(2-methoxyphenyl)acetate is COc1ccccc1CC(=O)OC(CNC(C)C)COc1cccc2[nH]ccc12.
What is the InChIKey of [1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-yl] 2-(2-methoxyphenyl)acetate?
The InChIKey is QCWIVCKUGYTYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-16(2)25-14-18(15-28-22-10-6-8-20-19(22)11-12-24-20)29-23(26)13-17-7-4-5-9-21(17)27-3/h4-12,16,18,24-25H,13-15H2,1-3H3.
What are the key properties of [1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-yl] 2-(2-methoxyphenyl)acetate?
[1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-yl] 2-(2-methoxyphenyl)acetate has a molecular weight of 396.49 g/mol, XLogP of 3.71, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-yl] 2-(2-methoxyphenyl)acetate is sourced from PubChem (CID 15289315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).