(5R)-5-(4-methoxyphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethylamino]cyclohex-2-en-1-one

C24H26N2O2 — CID 1263247

IUPAC(5R)-5-(4-methoxyphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethylamino]cyclohex-2-en-1-one
SMILESCOc1ccc([C@H]2CC(=O)C=C(NCCc3c(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/h3-10,15,18,25-26H,11-14H2,1-2H3/t18-/m1/s1
InChIKeyVBYWHEGXEKCWIQ-GOSISDBHSA-N
MW374.48 g/mol
LogP4.65
Rot. Bonds6

About (5R)-5-(4-methoxyphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethylamino]cyclohex-2-en-1-one

(5R)-5-(4-methoxyphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethylamino]cyclohex-2-en-1-one (PubChem CID 1263247) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is (5R)-5-(4-methoxyphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethylamino]cyclohex-2-en-1-one.

Molecular Properties

Compound Name(5R)-5-(4-methoxyphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethylamino]cyclohex-2-en-1-one
PubChem CID1263247
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name(5R)-5-(4-methoxyphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethylamino]cyclohex-2-en-1-one
SMILESCOc1ccc([C@H]2CC(=O)C=C(NCCc3c(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/h3-10,15,18,25-26H,11-14H2,1-2H3/t18-/m1/s1
InChIKeyVBYWHEGXEKCWIQ-GOSISDBHSA-N
XLogP4.65
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5R)-5-(4-methoxyphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethylamino]cyclohex-2-en-1-one with MolForge

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Related Compounds

(3S)-3-(4-methoxyphenyl)-5-[2-(2-methyl-1H-indol-3-yl)ethylimino]cyclohexan-1-one
CID 7304141
2,4-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 113085538
(5S)-3-(cyclopropylamino)-5-(4-methoxyphenyl)cyclohex-2-en-1-one
CID 800726
N-methoxy-2-(2-methyl-1H-indol-3-yl)ethanamine
CID 134536528
(5S)-3-(2-ethoxyanilino)-5-(4-methoxyphenyl)cyclohex-2-en-1-one
CID 820873
2-[N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-C-methylcarbonimidoyl]-5-phenylcyclohexane-1,3-dione
CID 7120421
3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 110789064
5-(4-methoxyphenyl)-3-(2-phenylanilino)cyclohex-2-en-1-one
CID 3134430
(5R)-5-(4-methoxyphenyl)-3-(2-phenylanilino)cyclohex-2-en-1-one
CID 1128178
3-[2-(3,4-dimethoxyphenyl)ethylamino]-5-(3-methoxyphenyl)cyclohex-2-en-1-one
CID 3538320
(5S)-3-(3,4-dimethoxyanilino)-5-(4-methoxyphenyl)cyclohex-2-en-1-one
CID 1128179
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-methoxyphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethylamino]cyclohex-2-en-1-one?
The IUPAC name of (5R)-5-(4-methoxyphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethylamino]cyclohex-2-en-1-one (CID 1263247) is (5R)-5-(4-methoxyphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethylamino]cyclohex-2-en-1-one.
What is the SMILES notation for (5R)-5-(4-methoxyphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethylamino]cyclohex-2-en-1-one?
The canonical SMILES for (5R)-5-(4-methoxyphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethylamino]cyclohex-2-en-1-one is COc1ccc([C@H]2CC(=O)C=C(NCCc3c(C)[nH]c4ccccc34)C2)cc1.
What is the InChIKey of (5R)-5-(4-methoxyphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethylamino]cyclohex-2-en-1-one?
The InChIKey is VBYWHEGXEKCWIQ-GOSISDBHSA-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/h3-10,15,18,25-26H,11-14H2,1-2H3/t18-/m1/s1.
What are the key properties of (5R)-5-(4-methoxyphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethylamino]cyclohex-2-en-1-one?
(5R)-5-(4-methoxyphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethylamino]cyclohex-2-en-1-one has a molecular weight of 374.48 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-methoxyphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethylamino]cyclohex-2-en-1-one is sourced from PubChem (CID 1263247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).