2-[3-(tert-butylamino)-2-hydroxypropoxy]-N-indol-1-ylbenzamide

C22H27N3O3 — CID 54435881

IUPAC2-[3-(tert-butylamino)-2-hydroxypropoxy]-N-indol-1-ylbenzamide
SMILESCC(C)(C)NCC(O)COc1ccccc1C(=O)Nn1ccc2ccccc21
InChIInChI=1S/C22H27N3O3/c1-22(2,3)23-14-17(26)15-28-20-11-7-5-9-18(20)21(27)24-25-13-12-16-8-4-6-10-19(16)25/h4-13,17,23,26H,14-15H2,1-3H3,(H,24,27)
InChIKeyWKRQJQNZRSIKJZ-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.15
Rot. Bonds7

About 2-[3-(tert-butylamino)-2-hydroxypropoxy]-N-indol-1-ylbenzamide

2-[3-(tert-butylamino)-2-hydroxypropoxy]-N-indol-1-ylbenzamide (PubChem CID 54435881) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[3-(tert-butylamino)-2-hydroxypropoxy]-N-indol-1-ylbenzamide.

Molecular Properties

Compound Name2-[3-(tert-butylamino)-2-hydroxypropoxy]-N-indol-1-ylbenzamide
PubChem CID54435881
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-[3-(tert-butylamino)-2-hydroxypropoxy]-N-indol-1-ylbenzamide
SMILESCC(C)(C)NCC(O)COc1ccccc1C(=O)Nn1ccc2ccccc21
InChIInChI=1S/C22H27N3O3/c1-22(2,3)23-14-17(26)15-28-20-11-7-5-9-18(20)21(27)24-25-13-12-16-8-4-6-10-19(16)25/h4-13,17,23,26H,14-15H2,1-3H3,(H,24,27)
InChIKeyWKRQJQNZRSIKJZ-UHFFFAOYSA-N
XLogP3.15
TPSA75.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[3-(tert-butylamino)-2-hydroxypropoxy]-N-indol-1-ylbenzamide 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 2-[3-(tert-butylamino)-2-hydroxypropoxy]-N-indol-1-ylbenzamide?
The IUPAC name of 2-[3-(tert-butylamino)-2-hydroxypropoxy]-N-indol-1-ylbenzamide (CID 54435881) is 2-[3-(tert-butylamino)-2-hydroxypropoxy]-N-indol-1-ylbenzamide.
What is the SMILES notation for 2-[3-(tert-butylamino)-2-hydroxypropoxy]-N-indol-1-ylbenzamide?
The canonical SMILES for 2-[3-(tert-butylamino)-2-hydroxypropoxy]-N-indol-1-ylbenzamide is CC(C)(C)NCC(O)COc1ccccc1C(=O)Nn1ccc2ccccc21.
What is the InChIKey of 2-[3-(tert-butylamino)-2-hydroxypropoxy]-N-indol-1-ylbenzamide?
The InChIKey is WKRQJQNZRSIKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-22(2,3)23-14-17(26)15-28-20-11-7-5-9-18(20)21(27)24-25-13-12-16-8-4-6-10-19(16)25/h4-13,17,23,26H,14-15H2,1-3H3,(H,24,27).
What are the key properties of 2-[3-(tert-butylamino)-2-hydroxypropoxy]-N-indol-1-ylbenzamide?
2-[3-(tert-butylamino)-2-hydroxypropoxy]-N-indol-1-ylbenzamide has a molecular weight of 381.48 g/mol, XLogP of 3.15, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(tert-butylamino)-2-hydroxypropoxy]-N-indol-1-ylbenzamide is sourced from PubChem (CID 54435881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).