(1,5-dimethylindol-2-yl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone

C24H28N2O2 — CID 124582318

IUPAC(1,5-dimethylindol-2-yl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone
SMILESCOc1ccc([C@H]2CCCCCN2C(=O)c2cc3cc(C)ccc3n2C)cc1
InChIInChI=1S/C24H28N2O2/c1-17-8-13-21-19(15-17)16-23(25(21)2)24(27)26-14-6-4-5-7-22(26)18-9-11-20(28-3)12-10-18/h8-13,15-16,22H,4-7,14H2,1-3H3/t22-/m1/s1
InChIKeySJINAZBEVNSAJX-JOCHJYFZSA-N
MW376.50 g/mol
LogP5.25
Rot. Bonds3

About (1,5-dimethylindol-2-yl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone

(1,5-dimethylindol-2-yl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone (PubChem CID 124582318) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is (1,5-dimethylindol-2-yl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylindol-2-yl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone
PubChem CID124582318
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name(1,5-dimethylindol-2-yl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone
SMILESCOc1ccc([C@H]2CCCCCN2C(=O)c2cc3cc(C)ccc3n2C)cc1
InChIInChI=1S/C24H28N2O2/c1-17-8-13-21-19(15-17)16-23(25(21)2)24(27)26-14-6-4-5-7-22(26)18-9-11-20(28-3)12-10-18/h8-13,15-16,22H,4-7,14H2,1-3H3/t22-/m1/s1
InChIKeySJINAZBEVNSAJX-JOCHJYFZSA-N
XLogP5.25
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1,5-dimethylindol-2-yl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone with MolForge

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Related Compounds

(5-methoxy-1-methylindol-2-yl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 97118078
[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 26663793
(2,4-dimethoxyphenyl)-[2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 55440342
(1,5-dimethylindol-2-yl)-pyrrolidin-1-ylmethanone
CID 7329070
2-(4-methoxyphenyl)piperidine-1-carboxamide
CID 69349219
5-[2-(4-methoxyphenyl)azepane-1-carbonyl]-2-methylbenzenesulfonamide
CID 78825743
5-[1-(5-methoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45244350
furan-3-yl-[2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 51267049
(3,6-dichloro-2-pyridinyl)-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 31797521
(5-bromo-3-pyridinyl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 31796701
cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42919736
[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-(thiadiazol-4-yl)methanone
CID 94645487

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylindol-2-yl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone?
The IUPAC name of (1,5-dimethylindol-2-yl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone (CID 124582318) is (1,5-dimethylindol-2-yl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone.
What is the SMILES notation for (1,5-dimethylindol-2-yl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone?
The canonical SMILES for (1,5-dimethylindol-2-yl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone is COc1ccc([C@H]2CCCCCN2C(=O)c2cc3cc(C)ccc3n2C)cc1.
What is the InChIKey of (1,5-dimethylindol-2-yl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone?
The InChIKey is SJINAZBEVNSAJX-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-17-8-13-21-19(15-17)16-23(25(21)2)24(27)26-14-6-4-5-7-22(26)18-9-11-20(28-3)12-10-18/h8-13,15-16,22H,4-7,14H2,1-3H3/t22-/m1/s1.
What are the key properties of (1,5-dimethylindol-2-yl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone?
(1,5-dimethylindol-2-yl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone has a molecular weight of 376.50 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylindol-2-yl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone is sourced from PubChem (CID 124582318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).