(3S)-3-(4-methoxyphenyl)-5-[2-(2-methyl-1H-indol-3-yl)ethylimino]cyclohexan-1-one

C24H26N2O2 — CID 7304141

IUPAC(3S)-3-(4-methoxyphenyl)-5-[2-(2-methyl-1H-indol-3-yl)ethylimino]cyclohexan-1-one
SMILESCOc1ccc([C@@H]2CC(=O)C/C(=N/CCc3c(C)[nH]c4ccccc34)C2)cc1
InChIInChI=1S/C24H26N2O2/c1-16-22(23-5-3-4-6-24(23)26-16)11-12-25-19-13-18(14-20(27)15-19)17-7-9-21(28-2)10-8-17/h3-10,18,26H,11-15H2,1-2H3/b25-19+/t18-/m0/s1
InChIKeyHULDXHUGERPNNB-OLQVNIRXSA-N
MW374.48 g/mol
LogP5.01
Rot. Bonds5

About (3S)-3-(4-methoxyphenyl)-5-[2-(2-methyl-1H-indol-3-yl)ethylimino]cyclohexan-1-one

(3S)-3-(4-methoxyphenyl)-5-[2-(2-methyl-1H-indol-3-yl)ethylimino]cyclohexan-1-one (PubChem CID 7304141) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is (3S)-3-(4-methoxyphenyl)-5-[2-(2-methyl-1H-indol-3-yl)ethylimino]cyclohexan-1-one.

Molecular Properties

Compound Name(3S)-3-(4-methoxyphenyl)-5-[2-(2-methyl-1H-indol-3-yl)ethylimino]cyclohexan-1-one
PubChem CID7304141
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name(3S)-3-(4-methoxyphenyl)-5-[2-(2-methyl-1H-indol-3-yl)ethylimino]cyclohexan-1-one
SMILESCOc1ccc([C@@H]2CC(=O)C/C(=N/CCc3c(C)[nH]c4ccccc34)C2)cc1
InChIInChI=1S/C24H26N2O2/c1-16-22(23-5-3-4-6-24(23)26-16)11-12-25-19-13-18(14-20(27)15-19)17-7-9-21(28-2)10-8-17/h3-10,18,26H,11-15H2,1-2H3/b25-19+/t18-/m0/s1
InChIKeyHULDXHUGERPNNB-OLQVNIRXSA-N
XLogP5.01
TPSA54.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (3S)-3-(4-methoxyphenyl)-5-[2-(2-methyl-1H-indol-3-yl)ethylimino]cyclohexan-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

Related Compounds

(5R)-5-(4-methoxyphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethylamino]cyclohex-2-en-1-one
CID 1263247
1-[(4R)-2-hydroxy-6-[2-(2-methyl-1H-indol-3-yl)ethylimino]-4-phenylcyclohexen-1-yl]ethanone
CID 135593682
2-[N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-C-methylcarbonimidoyl]-5-phenylcyclohexane-1,3-dione
CID 7120421
2-[N-[2-(2-methyl-1H-indol-3-yl)ethyl]-C-propylcarbonimidoyl]-5-phenylcyclohexane-1,3-dione
CID 7288659
2-[C-butyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]carbonimidoyl]-5-phenylcyclohexane-1,3-dione
CID 7288663
2-(1-hydroxypentylidene)-3-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethylimino]-5-phenylcyclohexan-1-one
CID 135456935
(5S)-3-[2-(dimethylamino)ethylimino]-5-phenylcyclohexan-1-one
CID 7305505
(5S)-3-(1,3-benzodioxol-5-ylmethylimino)-5-(4-methoxyphenyl)cyclohexan-1-one
CID 7430163
(3R)-3-(3,4-dimethoxyphenyl)-5-[2-(1H-imidazol-5-yl)ethylimino]cyclohexan-1-one
CID 7342683
2,4-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 113085538
methyl 4-(2-methyl-1H-indol-3-yl)butanoate
CID 10609557
3-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]-2-methyl-1H-indole
CID 113086654

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-methoxyphenyl)-5-[2-(2-methyl-1H-indol-3-yl)ethylimino]cyclohexan-1-one?
The IUPAC name of (3S)-3-(4-methoxyphenyl)-5-[2-(2-methyl-1H-indol-3-yl)ethylimino]cyclohexan-1-one (CID 7304141) is (3S)-3-(4-methoxyphenyl)-5-[2-(2-methyl-1H-indol-3-yl)ethylimino]cyclohexan-1-one.
What is the SMILES notation for (3S)-3-(4-methoxyphenyl)-5-[2-(2-methyl-1H-indol-3-yl)ethylimino]cyclohexan-1-one?
The canonical SMILES for (3S)-3-(4-methoxyphenyl)-5-[2-(2-methyl-1H-indol-3-yl)ethylimino]cyclohexan-1-one is COc1ccc([C@@H]2CC(=O)C/C(=N/CCc3c(C)[nH]c4ccccc34)C2)cc1.
What is the InChIKey of (3S)-3-(4-methoxyphenyl)-5-[2-(2-methyl-1H-indol-3-yl)ethylimino]cyclohexan-1-one?
The InChIKey is HULDXHUGERPNNB-OLQVNIRXSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-16-22(23-5-3-4-6-24(23)26-16)11-12-25-19-13-18(14-20(27)15-19)17-7-9-21(28-2)10-8-17/h3-10,18,26H,11-15H2,1-2H3/b25-19+/t18-/m0/s1.
What are the key properties of (3S)-3-(4-methoxyphenyl)-5-[2-(2-methyl-1H-indol-3-yl)ethylimino]cyclohexan-1-one?
(3S)-3-(4-methoxyphenyl)-5-[2-(2-methyl-1H-indol-3-yl)ethylimino]cyclohexan-1-one has a molecular weight of 374.48 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-methoxyphenyl)-5-[2-(2-methyl-1H-indol-3-yl)ethylimino]cyclohexan-1-one is sourced from PubChem (CID 7304141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).