3-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)inden-1-one

C23H25NO2 — CID 22432894

IUPAC3-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)inden-1-one
SMILESCOc1ccc(C2=C(N(C)C3CCCCC3)c3ccccc3C2=O)cc1
InChIInChI=1S/C23H25NO2/c1-24(17-8-4-3-5-9-17)22-19-10-6-7-11-20(19)23(25)21(22)16-12-14-18(26-2)15-13-16/h6-7,10-15,17H,3-5,8-9H2,1-2H3
InChIKeyVQMSGQGDVLWQNT-UHFFFAOYSA-N
MW347.46 g/mol
LogP5.02
Rot. Bonds4

About 3-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)inden-1-one

3-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)inden-1-one (PubChem CID 22432894) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)inden-1-one.

Molecular Properties

Compound Name3-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)inden-1-one
PubChem CID22432894
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name3-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)inden-1-one
SMILESCOc1ccc(C2=C(N(C)C3CCCCC3)c3ccccc3C2=O)cc1
InChIInChI=1S/C23H25NO2/c1-24(17-8-4-3-5-9-17)22-19-10-6-7-11-20(19)23(25)21(22)16-12-14-18(26-2)15-13-16/h6-7,10-15,17H,3-5,8-9H2,1-2H3
InChIKeyVQMSGQGDVLWQNT-UHFFFAOYSA-N
XLogP5.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)inden-1-one 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 3-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)inden-1-one?
The IUPAC name of 3-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)inden-1-one (CID 22432894) is 3-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)inden-1-one.
What is the SMILES notation for 3-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)inden-1-one?
The canonical SMILES for 3-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)inden-1-one is COc1ccc(C2=C(N(C)C3CCCCC3)c3ccccc3C2=O)cc1.
What is the InChIKey of 3-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)inden-1-one?
The InChIKey is VQMSGQGDVLWQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-24(17-8-4-3-5-9-17)22-19-10-6-7-11-20(19)23(25)21(22)16-12-14-18(26-2)15-13-16/h6-7,10-15,17H,3-5,8-9H2,1-2H3.
What are the key properties of 3-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)inden-1-one?
3-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)inden-1-one has a molecular weight of 347.46 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)inden-1-one is sourced from PubChem (CID 22432894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).