2-[2-(3,5-dimethylphenyl)-1-(2-hydroxypropyl)indol-5-yl]-N,N,2-trimethylpropanamide

C25H32N2O2 — CID 25101676

IUPAC2-[2-(3,5-dimethylphenyl)-1-(2-hydroxypropyl)indol-5-yl]-N,N,2-trimethylpropanamide
SMILESCc1cc(C)cc(-c2cc3cc(C(C)(C)C(=O)N(C)C)ccc3n2CC(C)O)c1
InChIInChI=1S/C25H32N2O2/c1-16-10-17(2)12-19(11-16)23-14-20-13-21(25(4,5)24(29)26(6)7)8-9-22(20)27(23)15-18(3)28/h8-14,18,28H,15H2,1-7H3
InChIKeyDSFRUNSNUAICKP-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.67
Rot. Bonds5

About 2-[2-(3,5-dimethylphenyl)-1-(2-hydroxypropyl)indol-5-yl]-N,N,2-trimethylpropanamide

2-[2-(3,5-dimethylphenyl)-1-(2-hydroxypropyl)indol-5-yl]-N,N,2-trimethylpropanamide (PubChem CID 25101676) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylphenyl)-1-(2-hydroxypropyl)indol-5-yl]-N,N,2-trimethylpropanamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethylphenyl)-1-(2-hydroxypropyl)indol-5-yl]-N,N,2-trimethylpropanamide
PubChem CID25101676
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name2-[2-(3,5-dimethylphenyl)-1-(2-hydroxypropyl)indol-5-yl]-N,N,2-trimethylpropanamide
SMILESCc1cc(C)cc(-c2cc3cc(C(C)(C)C(=O)N(C)C)ccc3n2CC(C)O)c1
InChIInChI=1S/C25H32N2O2/c1-16-10-17(2)12-19(11-16)23-14-20-13-21(25(4,5)24(29)26(6)7)8-9-22(20)27(23)15-18(3)28/h8-14,18,28H,15H2,1-7H3
InChIKeyDSFRUNSNUAICKP-UHFFFAOYSA-N
XLogP4.67
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(3,5-dimethylphenyl)-1-(2-hydroxypropyl)indol-5-yl]-N,N,2-trimethylpropanamide 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-[2-(3,5-dimethylphenyl)-1-(2-hydroxypropyl)indol-5-yl]-N,N,2-trimethylpropanamide?
The IUPAC name of 2-[2-(3,5-dimethylphenyl)-1-(2-hydroxypropyl)indol-5-yl]-N,N,2-trimethylpropanamide (CID 25101676) is 2-[2-(3,5-dimethylphenyl)-1-(2-hydroxypropyl)indol-5-yl]-N,N,2-trimethylpropanamide.
What is the SMILES notation for 2-[2-(3,5-dimethylphenyl)-1-(2-hydroxypropyl)indol-5-yl]-N,N,2-trimethylpropanamide?
The canonical SMILES for 2-[2-(3,5-dimethylphenyl)-1-(2-hydroxypropyl)indol-5-yl]-N,N,2-trimethylpropanamide is Cc1cc(C)cc(-c2cc3cc(C(C)(C)C(=O)N(C)C)ccc3n2CC(C)O)c1.
What is the InChIKey of 2-[2-(3,5-dimethylphenyl)-1-(2-hydroxypropyl)indol-5-yl]-N,N,2-trimethylpropanamide?
The InChIKey is DSFRUNSNUAICKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-16-10-17(2)12-19(11-16)23-14-20-13-21(25(4,5)24(29)26(6)7)8-9-22(20)27(23)15-18(3)28/h8-14,18,28H,15H2,1-7H3.
What are the key properties of 2-[2-(3,5-dimethylphenyl)-1-(2-hydroxypropyl)indol-5-yl]-N,N,2-trimethylpropanamide?
2-[2-(3,5-dimethylphenyl)-1-(2-hydroxypropyl)indol-5-yl]-N,N,2-trimethylpropanamide has a molecular weight of 392.54 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylphenyl)-1-(2-hydroxypropyl)indol-5-yl]-N,N,2-trimethylpropanamide is sourced from PubChem (CID 25101676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).