N-cyclohexyl-2-(1H-indol-3-yl)-2-oxoacetamide

C16H18N2O2 — CID 2068180

IUPACN-cyclohexyl-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(NC1CCCCC1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H18N2O2/c19-15(16(20)18-11-6-2-1-3-7-11)13-10-17-14-9-5-4-8-12(13)14/h4-5,8-11,17H,1-3,6-7H2,(H,18,20)
InChIKeyRHKKRPHBYSHRHN-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.80
Rot. Bonds3

About N-cyclohexyl-2-(1H-indol-3-yl)-2-oxoacetamide

N-cyclohexyl-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 2068180) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-cyclohexyl-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID2068180
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-cyclohexyl-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(NC1CCCCC1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H18N2O2/c19-15(16(20)18-11-6-2-1-3-7-11)13-10-17-14-9-5-4-8-12(13)14/h4-5,8-11,17H,1-3,6-7H2,(H,18,20)
InChIKeyRHKKRPHBYSHRHN-UHFFFAOYSA-N
XLogP2.80
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.80
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 N-cyclohexyl-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-cyclohexyl-2-(1H-indol-3-yl)-2-oxoacetamide (CID 2068180) is N-cyclohexyl-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-cyclohexyl-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-cyclohexyl-2-(1H-indol-3-yl)-2-oxoacetamide is O=C(NC1CCCCC1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-cyclohexyl-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is RHKKRPHBYSHRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-15(16(20)18-11-6-2-1-3-7-11)13-10-17-14-9-5-4-8-12(13)14/h4-5,8-11,17H,1-3,6-7H2,(H,18,20).
What are the key properties of N-cyclohexyl-2-(1H-indol-3-yl)-2-oxoacetamide?
N-cyclohexyl-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 270.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 2068180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).