2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)decyl]acetamide;2,2,2-trifluoroacetic acid

C33H39F3N4O5 — CID 11505512

IUPAC2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)decyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCCCC(=O)CCCCC[C@H](NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12)c1ncc(-c2ccccc2)[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C31H38N4O3.C2HF3O2/c1-4-11-23(36)14-9-6-10-15-28(31-32-20-29(35-31)22-12-7-5-8-13-22)34-30(37)19-25-21(2)33-27-17-16-24(38-3)18-26(25)27;3-2(4,5)1(6)7/h5,7-8,12-13,16-18,20,28,33H,4,6,9-11,14-15,19H2,1-3H3,(H,32,35)(H,34,37);(H,6,7)/t28-;/m0./s1
InChIKeyVHEJRYJJLVIQBB-JCOPYZAKSA-N
MW628.69 g/mol
LogP7.23
Rot. Bonds14

About 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)decyl]acetamide;2,2,2-trifluoroacetic acid

2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)decyl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 11505512) has the molecular formula C33H39F3N4O5 and a molecular weight of 628.69 g/mol. Its IUPAC name is 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)decyl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)decyl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID11505512
Molecular FormulaC33H39F3N4O5
Molecular Weight628.69 g/mol
Exact Mass628.29
IUPAC Name2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)decyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCCCC(=O)CCCCC[C@H](NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12)c1ncc(-c2ccccc2)[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C31H38N4O3.C2HF3O2/c1-4-11-23(36)14-9-6-10-15-28(31-32-20-29(35-31)22-12-7-5-8-13-22)34-30(37)19-25-21(2)33-27-17-16-24(38-3)18-26(25)27;3-2(4,5)1(6)7/h5,7-8,12-13,16-18,20,28,33H,4,6,9-11,14-15,19H2,1-3H3,(H,32,35)(H,34,37);(H,6,7)/t28-;/m0./s1
InChIKeyVHEJRYJJLVIQBB-JCOPYZAKSA-N
XLogP7.23
TPSA137.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.69
LogP ≤ 57.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)decyl]acetamide;2,2,2-trifluoroacetic acid 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-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)decyl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)decyl]acetamide;2,2,2-trifluoroacetic acid (CID 11505512) is 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)decyl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)decyl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)decyl]acetamide;2,2,2-trifluoroacetic acid is CCCC(=O)CCCCC[C@H](NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12)c1ncc(-c2ccccc2)[nH]1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)decyl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is VHEJRYJJLVIQBB-JCOPYZAKSA-N. The full InChI is InChI=1S/C31H38N4O3.C2HF3O2/c1-4-11-23(36)14-9-6-10-15-28(31-32-20-29(35-31)22-12-7-5-8-13-22)34-30(37)19-25-21(2)33-27-17-16-24(38-3)18-26(25)27;3-2(4,5)1(6)7/h5,7-8,12-13,16-18,20,28,33H,4,6,9-11,14-15,19H2,1-3H3,(H,32,35)(H,34,37);(H,6,7)/t28-;/m0./s1.
What are the key properties of 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)decyl]acetamide;2,2,2-trifluoroacetic acid?
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)decyl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 628.69 g/mol, XLogP of 7.23, 14 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)decyl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 11505512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).