N-tert-butyl-2-[1-[2-(tert-butylamino)-2-oxoethyl]-2-[3-(trifluoromethoxy)phenyl]indol-5-yl]-2-methylpropanamide

C29H36F3N3O3 — CID 25101822

IUPACN-tert-butyl-2-[1-[2-(tert-butylamino)-2-oxoethyl]-2-[3-(trifluoromethoxy)phenyl]indol-5-yl]-2-methylpropanamide
SMILESCC(C)(C)NC(=O)Cn1c(-c2cccc(OC(F)(F)F)c2)cc2cc(C(C)(C)C(=O)NC(C)(C)C)ccc21
InChIInChI=1S/C29H36F3N3O3/c1-26(2,3)33-24(36)17-35-22-13-12-20(28(7,8)25(37)34-27(4,5)6)14-19(22)16-23(35)18-10-9-11-21(15-18)38-29(30,31)32/h9-16H,17H2,1-8H3,(H,33,36)(H,34,37)
InChIKeyIYFHTLITWVCFNG-UHFFFAOYSA-N
MW531.62 g/mol
LogP6.31
Rot. Bonds6

About N-tert-butyl-2-[1-[2-(tert-butylamino)-2-oxoethyl]-2-[3-(trifluoromethoxy)phenyl]indol-5-yl]-2-methylpropanamide

N-tert-butyl-2-[1-[2-(tert-butylamino)-2-oxoethyl]-2-[3-(trifluoromethoxy)phenyl]indol-5-yl]-2-methylpropanamide (PubChem CID 25101822) has the molecular formula C29H36F3N3O3 and a molecular weight of 531.62 g/mol. Its IUPAC name is N-tert-butyl-2-[1-[2-(tert-butylamino)-2-oxoethyl]-2-[3-(trifluoromethoxy)phenyl]indol-5-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[1-[2-(tert-butylamino)-2-oxoethyl]-2-[3-(trifluoromethoxy)phenyl]indol-5-yl]-2-methylpropanamide
PubChem CID25101822
Molecular FormulaC29H36F3N3O3
Molecular Weight531.62 g/mol
Exact Mass531.27
IUPAC NameN-tert-butyl-2-[1-[2-(tert-butylamino)-2-oxoethyl]-2-[3-(trifluoromethoxy)phenyl]indol-5-yl]-2-methylpropanamide
SMILESCC(C)(C)NC(=O)Cn1c(-c2cccc(OC(F)(F)F)c2)cc2cc(C(C)(C)C(=O)NC(C)(C)C)ccc21
InChIInChI=1S/C29H36F3N3O3/c1-26(2,3)33-24(36)17-35-22-13-12-20(28(7,8)25(37)34-27(4,5)6)14-19(22)16-23(35)18-10-9-11-21(15-18)38-29(30,31)32/h9-16H,17H2,1-8H3,(H,33,36)(H,34,37)
InChIKeyIYFHTLITWVCFNG-UHFFFAOYSA-N
XLogP6.31
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.62
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2-[1-[2-(tert-butylamino)-2-oxoethyl]-2-[3-(trifluoromethoxy)phenyl]indol-5-yl]-2-methylpropanamide 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 N-tert-butyl-2-[1-[2-(tert-butylamino)-2-oxoethyl]-2-[3-(trifluoromethoxy)phenyl]indol-5-yl]-2-methylpropanamide?
The IUPAC name of N-tert-butyl-2-[1-[2-(tert-butylamino)-2-oxoethyl]-2-[3-(trifluoromethoxy)phenyl]indol-5-yl]-2-methylpropanamide (CID 25101822) is N-tert-butyl-2-[1-[2-(tert-butylamino)-2-oxoethyl]-2-[3-(trifluoromethoxy)phenyl]indol-5-yl]-2-methylpropanamide.
What is the SMILES notation for N-tert-butyl-2-[1-[2-(tert-butylamino)-2-oxoethyl]-2-[3-(trifluoromethoxy)phenyl]indol-5-yl]-2-methylpropanamide?
The canonical SMILES for N-tert-butyl-2-[1-[2-(tert-butylamino)-2-oxoethyl]-2-[3-(trifluoromethoxy)phenyl]indol-5-yl]-2-methylpropanamide is CC(C)(C)NC(=O)Cn1c(-c2cccc(OC(F)(F)F)c2)cc2cc(C(C)(C)C(=O)NC(C)(C)C)ccc21.
What is the InChIKey of N-tert-butyl-2-[1-[2-(tert-butylamino)-2-oxoethyl]-2-[3-(trifluoromethoxy)phenyl]indol-5-yl]-2-methylpropanamide?
The InChIKey is IYFHTLITWVCFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36F3N3O3/c1-26(2,3)33-24(36)17-35-22-13-12-20(28(7,8)25(37)34-27(4,5)6)14-19(22)16-23(35)18-10-9-11-21(15-18)38-29(30,31)32/h9-16H,17H2,1-8H3,(H,33,36)(H,34,37).
What are the key properties of N-tert-butyl-2-[1-[2-(tert-butylamino)-2-oxoethyl]-2-[3-(trifluoromethoxy)phenyl]indol-5-yl]-2-methylpropanamide?
N-tert-butyl-2-[1-[2-(tert-butylamino)-2-oxoethyl]-2-[3-(trifluoromethoxy)phenyl]indol-5-yl]-2-methylpropanamide has a molecular weight of 531.62 g/mol, XLogP of 6.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[1-[2-(tert-butylamino)-2-oxoethyl]-2-[3-(trifluoromethoxy)phenyl]indol-5-yl]-2-methylpropanamide is sourced from PubChem (CID 25101822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).