2-(1,2-dimethylindol-3-yl)-2-oxo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide

C21H28N2O2 — CID 7087258

IUPAC2-(1,2-dimethylindol-3-yl)-2-oxo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide
SMILESCc1c(C(=O)C(=O)N[C@@H]2C[C@@H](C)CC(C)(C)C2)c2ccccc2n1C
InChIInChI=1S/C21H28N2O2/c1-13-10-15(12-21(3,4)11-13)22-20(25)19(24)18-14(2)23(5)17-9-7-6-8-16(17)18/h6-9,13,15H,10-12H2,1-5H3,(H,22,25)/t13-,15-/m1/s1
InChIKeyRVCJYDXUZIEUKO-UKRRQHHQSA-N
MW340.47 g/mol
LogP4.00
Rot. Bonds3

About 2-(1,2-dimethylindol-3-yl)-2-oxo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide

2-(1,2-dimethylindol-3-yl)-2-oxo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide (PubChem CID 7087258) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-(1,2-dimethylindol-3-yl)-2-oxo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(1,2-dimethylindol-3-yl)-2-oxo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide
PubChem CID7087258
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name2-(1,2-dimethylindol-3-yl)-2-oxo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide
SMILESCc1c(C(=O)C(=O)N[C@@H]2C[C@@H](C)CC(C)(C)C2)c2ccccc2n1C
InChIInChI=1S/C21H28N2O2/c1-13-10-15(12-21(3,4)11-13)22-20(25)19(24)18-14(2)23(5)17-9-7-6-8-16(17)18/h6-9,13,15H,10-12H2,1-5H3,(H,22,25)/t13-,15-/m1/s1
InChIKeyRVCJYDXUZIEUKO-UKRRQHHQSA-N
XLogP4.00
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylindol-3-yl)-2-oxo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide?
The IUPAC name of 2-(1,2-dimethylindol-3-yl)-2-oxo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide (CID 7087258) is 2-(1,2-dimethylindol-3-yl)-2-oxo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide.
What is the SMILES notation for 2-(1,2-dimethylindol-3-yl)-2-oxo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide?
The canonical SMILES for 2-(1,2-dimethylindol-3-yl)-2-oxo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide is Cc1c(C(=O)C(=O)N[C@@H]2C[C@@H](C)CC(C)(C)C2)c2ccccc2n1C.
What is the InChIKey of 2-(1,2-dimethylindol-3-yl)-2-oxo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide?
The InChIKey is RVCJYDXUZIEUKO-UKRRQHHQSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-13-10-15(12-21(3,4)11-13)22-20(25)19(24)18-14(2)23(5)17-9-7-6-8-16(17)18/h6-9,13,15H,10-12H2,1-5H3,(H,22,25)/t13-,15-/m1/s1.
What are the key properties of 2-(1,2-dimethylindol-3-yl)-2-oxo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide?
2-(1,2-dimethylindol-3-yl)-2-oxo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide has a molecular weight of 340.47 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylindol-3-yl)-2-oxo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide is sourced from PubChem (CID 7087258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).