N-tert-butyl-2-[2-(3,5-dimethylphenyl)-1-(2-methoxyethyl)indol-5-yl]-2-methylpropanamide

C27H36N2O2 — CID 25101375

IUPACN-tert-butyl-2-[2-(3,5-dimethylphenyl)-1-(2-methoxyethyl)indol-5-yl]-2-methylpropanamide
SMILESCOCCn1c(-c2cc(C)cc(C)c2)cc2cc(C(C)(C)C(=O)NC(C)(C)C)ccc21
InChIInChI=1S/C27H36N2O2/c1-18-13-19(2)15-20(14-18)24-17-21-16-22(9-10-23(21)29(24)11-12-31-8)27(6,7)25(30)28-26(3,4)5/h9-10,13-17H,11-12H2,1-8H3,(H,28,30)
InChIKeySOEATSBOVKRGLH-UHFFFAOYSA-N
MW420.60 g/mol
LogP5.76
Rot. Bonds6

About N-tert-butyl-2-[2-(3,5-dimethylphenyl)-1-(2-methoxyethyl)indol-5-yl]-2-methylpropanamide

N-tert-butyl-2-[2-(3,5-dimethylphenyl)-1-(2-methoxyethyl)indol-5-yl]-2-methylpropanamide (PubChem CID 25101375) has the molecular formula C27H36N2O2 and a molecular weight of 420.60 g/mol. Its IUPAC name is N-tert-butyl-2-[2-(3,5-dimethylphenyl)-1-(2-methoxyethyl)indol-5-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-(3,5-dimethylphenyl)-1-(2-methoxyethyl)indol-5-yl]-2-methylpropanamide
PubChem CID25101375
Molecular FormulaC27H36N2O2
Molecular Weight420.60 g/mol
Exact Mass420.28
IUPAC NameN-tert-butyl-2-[2-(3,5-dimethylphenyl)-1-(2-methoxyethyl)indol-5-yl]-2-methylpropanamide
SMILESCOCCn1c(-c2cc(C)cc(C)c2)cc2cc(C(C)(C)C(=O)NC(C)(C)C)ccc21
InChIInChI=1S/C27H36N2O2/c1-18-13-19(2)15-20(14-18)24-17-21-16-22(9-10-23(21)29(24)11-12-31-8)27(6,7)25(30)28-26(3,4)5/h9-10,13-17H,11-12H2,1-8H3,(H,28,30)
InChIKeySOEATSBOVKRGLH-UHFFFAOYSA-N
XLogP5.76
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-(3,5-dimethylphenyl)-1-(2-methoxyethyl)indol-5-yl]-2-methylpropanamide?
The IUPAC name of N-tert-butyl-2-[2-(3,5-dimethylphenyl)-1-(2-methoxyethyl)indol-5-yl]-2-methylpropanamide (CID 25101375) is N-tert-butyl-2-[2-(3,5-dimethylphenyl)-1-(2-methoxyethyl)indol-5-yl]-2-methylpropanamide.
What is the SMILES notation for N-tert-butyl-2-[2-(3,5-dimethylphenyl)-1-(2-methoxyethyl)indol-5-yl]-2-methylpropanamide?
The canonical SMILES for N-tert-butyl-2-[2-(3,5-dimethylphenyl)-1-(2-methoxyethyl)indol-5-yl]-2-methylpropanamide is COCCn1c(-c2cc(C)cc(C)c2)cc2cc(C(C)(C)C(=O)NC(C)(C)C)ccc21.
What is the InChIKey of N-tert-butyl-2-[2-(3,5-dimethylphenyl)-1-(2-methoxyethyl)indol-5-yl]-2-methylpropanamide?
The InChIKey is SOEATSBOVKRGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O2/c1-18-13-19(2)15-20(14-18)24-17-21-16-22(9-10-23(21)29(24)11-12-31-8)27(6,7)25(30)28-26(3,4)5/h9-10,13-17H,11-12H2,1-8H3,(H,28,30).
What are the key properties of N-tert-butyl-2-[2-(3,5-dimethylphenyl)-1-(2-methoxyethyl)indol-5-yl]-2-methylpropanamide?
N-tert-butyl-2-[2-(3,5-dimethylphenyl)-1-(2-methoxyethyl)indol-5-yl]-2-methylpropanamide has a molecular weight of 420.60 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-(3,5-dimethylphenyl)-1-(2-methoxyethyl)indol-5-yl]-2-methylpropanamide is sourced from PubChem (CID 25101375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).