cyclopropyl-[1-[3-(2,5-dimethylphenoxy)propyl]indol-3-yl]methanone

C23H25NO2 — CID 2213955

IUPACcyclopropyl-[1-[3-(2,5-dimethylphenoxy)propyl]indol-3-yl]methanone
SMILESCc1ccc(C)c(OCCCn2cc(C(=O)C3CC3)c3ccccc32)c1
InChIInChI=1S/C23H25NO2/c1-16-8-9-17(2)22(14-16)26-13-5-12-24-15-20(23(25)18-10-11-18)19-6-3-4-7-21(19)24/h3-4,6-9,14-15,18H,5,10-13H2,1-2H3
InChIKeyMSSFHBXQIDOQGS-UHFFFAOYSA-N
MW347.46 g/mol
LogP5.32
Rot. Bonds7

About cyclopropyl-[1-[3-(2,5-dimethylphenoxy)propyl]indol-3-yl]methanone

cyclopropyl-[1-[3-(2,5-dimethylphenoxy)propyl]indol-3-yl]methanone (PubChem CID 2213955) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is cyclopropyl-[1-[3-(2,5-dimethylphenoxy)propyl]indol-3-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[1-[3-(2,5-dimethylphenoxy)propyl]indol-3-yl]methanone
PubChem CID2213955
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Namecyclopropyl-[1-[3-(2,5-dimethylphenoxy)propyl]indol-3-yl]methanone
SMILESCc1ccc(C)c(OCCCn2cc(C(=O)C3CC3)c3ccccc32)c1
InChIInChI=1S/C23H25NO2/c1-16-8-9-17(2)22(14-16)26-13-5-12-24-15-20(23(25)18-10-11-18)19-6-3-4-7-21(19)24/h3-4,6-9,14-15,18H,5,10-13H2,1-2H3
InChIKeyMSSFHBXQIDOQGS-UHFFFAOYSA-N
XLogP5.32
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze cyclopropyl-[1-[3-(2,5-dimethylphenoxy)propyl]indol-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(2,5-dimethylphenoxy)propyl]indole-3-carboxylic acid
CID 22332903
cyclopropyl-[1-[3-(4-methylphenoxy)propyl]indol-3-yl]methanone
CID 5043390
[1-[3-(2-methylphenoxy)propyl]indol-3-yl]-phenylmethanone
CID 4524878
2,2-dimethyl-1-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]propan-1-one
CID 4320218
2-(2,5-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone
CID 21380760
2-cyano-N-cyclopropyl-3-[1-[2-(2,5-dimethylphenoxy)ethyl]indol-3-yl]prop-2-enamide
CID 3142047
furan-2-yl-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]methanone
CID 4127305
[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]indol-3-yl]-piperidin-1-ylmethanethione
CID 1281079
cyclopropyl-(1,5-dimethylindol-3-yl)methanone
CID 82278819
N-[1-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16969723
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-methyl-N-phenylacetamide
CID 21370258
5-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]pentanoic acid
CID 86268508

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-[3-(2,5-dimethylphenoxy)propyl]indol-3-yl]methanone?
The IUPAC name of cyclopropyl-[1-[3-(2,5-dimethylphenoxy)propyl]indol-3-yl]methanone (CID 2213955) is cyclopropyl-[1-[3-(2,5-dimethylphenoxy)propyl]indol-3-yl]methanone.
What is the SMILES notation for cyclopropyl-[1-[3-(2,5-dimethylphenoxy)propyl]indol-3-yl]methanone?
The canonical SMILES for cyclopropyl-[1-[3-(2,5-dimethylphenoxy)propyl]indol-3-yl]methanone is Cc1ccc(C)c(OCCCn2cc(C(=O)C3CC3)c3ccccc32)c1.
What is the InChIKey of cyclopropyl-[1-[3-(2,5-dimethylphenoxy)propyl]indol-3-yl]methanone?
The InChIKey is MSSFHBXQIDOQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-16-8-9-17(2)22(14-16)26-13-5-12-24-15-20(23(25)18-10-11-18)19-6-3-4-7-21(19)24/h3-4,6-9,14-15,18H,5,10-13H2,1-2H3.
What are the key properties of cyclopropyl-[1-[3-(2,5-dimethylphenoxy)propyl]indol-3-yl]methanone?
cyclopropyl-[1-[3-(2,5-dimethylphenoxy)propyl]indol-3-yl]methanone has a molecular weight of 347.46 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-[3-(2,5-dimethylphenoxy)propyl]indol-3-yl]methanone is sourced from PubChem (CID 2213955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).