N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide

C28H32F3N3O2 — CID 4129679

About N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide

N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 4129679) has the molecular formula C28H32F3N3O2 and a molecular weight of 499.58 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
• PubChem CID: 4129679
• Molecular Formula: C28H32F3N3O2
• Molecular Weight: 499.58 g/mol
• Exact Mass: 499.24
• IUPAC Name: N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
• SMILES: CC(C)(C)C(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(F)(F)F)cc1)C1CC1
• InChI: InChI=1S/C28H32F3N3O2/c1-27(2,3)26(36)34(22-12-13-22)18-25(35)33(17-19-8-10-21(11-9-19)28(29,30)31)15-14-20-16-32-24-7-5-4-6-23(20)24/h4-11,16,22,32H,12-15,17-18H2,1-3H3
• InChIKey: ZJEZZFMCSUNNQQ-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 56.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.58
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide?

The IUPAC name of N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide (CID 4129679) is N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide.

What is the SMILES notation for N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide?

The canonical SMILES for N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(F)(F)F)cc1)C1CC1.

What is the InChIKey of N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide?

The InChIKey is ZJEZZFMCSUNNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N3O2/c1-27(2,3)26(36)34(22-12-13-22)18-25(35)33(17-19-8-10-21(11-9-19)28(29,30)31)15-14-20-16-32-24-7-5-4-6-23(20)24/h4-11,16,22,32H,12-15,17-18H2,1-3H3.

What are the key properties of N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide?

N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 499.58 g/mol, XLogP of 5.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 4129679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).