2-(1H-indol-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]-2-oxoacetamide

C17H20N2O2 — CID 7117325

IUPAC2-(1H-indol-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]-2-oxoacetamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H20N2O2/c1-11-6-2-4-8-14(11)19-17(21)16(20)13-10-18-15-9-5-3-7-12(13)15/h3,5,7,9-11,14,18H,2,4,6,8H2,1H3,(H,19,21)/t11-,14+/m1/s1
InChIKeyTXIXYOGMCYFKAK-RISCZKNCSA-N
MW284.36 g/mol
LogP3.05
Rot. Bonds3

About 2-(1H-indol-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]-2-oxoacetamide

2-(1H-indol-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]-2-oxoacetamide (PubChem CID 7117325) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]-2-oxoacetamide
PubChem CID7117325
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-(1H-indol-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]-2-oxoacetamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H20N2O2/c1-11-6-2-4-8-14(11)19-17(21)16(20)13-10-18-15-9-5-3-7-12(13)15/h3,5,7,9-11,14,18H,2,4,6,8H2,1H3,(H,19,21)/t11-,14+/m1/s1
InChIKeyTXIXYOGMCYFKAK-RISCZKNCSA-N
XLogP3.05
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 8606559
N-(2-hydroxycyclohexyl)-1H-indole-3-carboxamide
CID 55064120
5-bromo-N-[(1R,2R)-2-methylcyclohexyl]-1H-indole-3-carboxamide
CID 25362200
N-(2-methylpiperidin-3-yl)-1H-indole-3-carboxamide
CID 114694981
N-[(1R)-1-cyclohexylethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 11044731
N-(2-aminocyclopentyl)-1H-indole-3-carboxamide
CID 63251414
N-[(1R,2R)-2-hydroxycyclohexyl]-4-oxo-1H-quinoline-3-carboxamide
CID 104927982
N-[2-(hydroxymethyl)cyclopentyl]-1H-indole-3-carboxamide
CID 103774231
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 10935596
cyclopentyl(1H-indol-3-yl)methanone
CID 14069740
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7169328
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960340

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]-2-oxoacetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]-2-oxoacetamide (CID 7117325) is 2-(1H-indol-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]-2-oxoacetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]-2-oxoacetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]-2-oxoacetamide is C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]-2-oxoacetamide?
The InChIKey is TXIXYOGMCYFKAK-RISCZKNCSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-6-2-4-8-14(11)19-17(21)16(20)13-10-18-15-9-5-3-7-12(13)15/h3,5,7,9-11,14,18H,2,4,6,8H2,1H3,(H,19,21)/t11-,14+/m1/s1.
What are the key properties of 2-(1H-indol-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]-2-oxoacetamide?
2-(1H-indol-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]-2-oxoacetamide has a molecular weight of 284.36 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]-2-oxoacetamide is sourced from PubChem (CID 7117325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).