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

C20H26N2O2 — CID 7117556

IUPAC2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)N[C@H]1C[C@H](C)CC(C)(C)C1
InChIInChI=1S/C20H26N2O2/c1-12-9-14(11-20(3,4)10-12)22-19(24)18(23)17-13(2)21-16-8-6-5-7-15(16)17/h5-8,12,14,21H,9-11H2,1-4H3,(H,22,24)/t12-,14-/m0/s1
InChIKeyUSEFRRDRYZBXLP-JSGCOSHPSA-N
MW326.44 g/mol
LogP3.99
Rot. Bonds3

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

2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide (PubChem CID 7117556) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide
PubChem CID7117556
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)N[C@H]1C[C@H](C)CC(C)(C)C1
InChIInChI=1S/C20H26N2O2/c1-12-9-14(11-20(3,4)10-12)22-19(24)18(23)17-13(2)21-16-8-6-5-7-15(16)17/h5-8,12,14,21H,9-11H2,1-4H3,(H,22,24)/t12-,14-/m0/s1
InChIKeyUSEFRRDRYZBXLP-JSGCOSHPSA-N
XLogP3.99
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide (CID 7117556) is 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide is Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@H]1C[C@H](C)CC(C)(C)C1.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide?
The InChIKey is USEFRRDRYZBXLP-JSGCOSHPSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-12-9-14(11-20(3,4)10-12)22-19(24)18(23)17-13(2)21-16-8-6-5-7-15(16)17/h5-8,12,14,21H,9-11H2,1-4H3,(H,22,24)/t12-,14-/m0/s1.
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide?
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide has a molecular weight of 326.44 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide is sourced from PubChem (CID 7117556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).