4-[4-[2-[[3-(3a,7a-dihydro-1H-indol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]benzamide

C28H33N3O4 — CID 20673406

IUPAC4-[4-[2-[[3-(3a,7a-dihydro-1H-indol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]benzamide
SMILESCC(C)(Cc1ccc(Oc2ccc(C(N)=O)cc2)cc1)NCC(O)COC1=CC=CC2NC=CC12
InChIInChI=1S/C28H33N3O4/c1-28(2,31-17-21(32)18-34-26-5-3-4-25-24(26)14-15-30-25)16-19-6-10-22(11-7-19)35-23-12-8-20(9-13-23)27(29)33/h3-15,21,24-25,30-32H,16-18H2,1-2H3,(H2,29,33)
InChIKeyDOXNUUWSTQOCGE-UHFFFAOYSA-N
MW475.59 g/mol
LogP3.42
Rot. Bonds11

About 4-[4-[2-[[3-(3a,7a-dihydro-1H-indol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]benzamide

4-[4-[2-[[3-(3a,7a-dihydro-1H-indol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]benzamide (PubChem CID 20673406) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is 4-[4-[2-[[3-(3a,7a-dihydro-1H-indol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[2-[[3-(3a,7a-dihydro-1H-indol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]benzamide
PubChem CID20673406
Molecular FormulaC28H33N3O4
Molecular Weight475.59 g/mol
Exact Mass475.25
IUPAC Name4-[4-[2-[[3-(3a,7a-dihydro-1H-indol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]benzamide
SMILESCC(C)(Cc1ccc(Oc2ccc(C(N)=O)cc2)cc1)NCC(O)COC1=CC=CC2NC=CC12
InChIInChI=1S/C28H33N3O4/c1-28(2,31-17-21(32)18-34-26-5-3-4-25-24(26)14-15-30-25)16-19-6-10-22(11-7-19)35-23-12-8-20(9-13-23)27(29)33/h3-15,21,24-25,30-32H,16-18H2,1-2H3,(H2,29,33)
InChIKeyDOXNUUWSTQOCGE-UHFFFAOYSA-N
XLogP3.42
TPSA105.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[4-[2-[[3-(3a,7a-dihydro-1H-indol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[[3-(3a,7a-dihydro-1H-indol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[2-[[3-(3a,7a-dihydro-1H-indol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]benzamide (CID 20673406) is 4-[4-[2-[[3-(3a,7a-dihydro-1H-indol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[2-[[3-(3a,7a-dihydro-1H-indol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[2-[[3-(3a,7a-dihydro-1H-indol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]benzamide is CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cc2)cc1)NCC(O)COC1=CC=CC2NC=CC12.
What is the InChIKey of 4-[4-[2-[[3-(3a,7a-dihydro-1H-indol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]benzamide?
The InChIKey is DOXNUUWSTQOCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O4/c1-28(2,31-17-21(32)18-34-26-5-3-4-25-24(26)14-15-30-25)16-19-6-10-22(11-7-19)35-23-12-8-20(9-13-23)27(29)33/h3-15,21,24-25,30-32H,16-18H2,1-2H3,(H2,29,33).
What are the key properties of 4-[4-[2-[[3-(3a,7a-dihydro-1H-indol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]benzamide?
4-[4-[2-[[3-(3a,7a-dihydro-1H-indol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]benzamide has a molecular weight of 475.59 g/mol, XLogP of 3.42, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[[3-(3a,7a-dihydro-1H-indol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]benzamide is sourced from PubChem (CID 20673406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).