N-tert-butyl-2-(1H-indol-5-yl)-2-oxoacetamide

C14H16N2O2 — CID 132598118

IUPACN-tert-butyl-2-(1H-indol-5-yl)-2-oxoacetamide
SMILESCC(C)(C)NC(=O)C(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C14H16N2O2/c1-14(2,3)16-13(18)12(17)10-4-5-11-9(8-10)6-7-15-11/h4-8,15H,1-3H3,(H,16,18)
InChIKeyAXJNIUZGEDJBBY-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.27
Rot. Bonds2

About N-tert-butyl-2-(1H-indol-5-yl)-2-oxoacetamide

N-tert-butyl-2-(1H-indol-5-yl)-2-oxoacetamide (PubChem CID 132598118) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-tert-butyl-2-(1H-indol-5-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(1H-indol-5-yl)-2-oxoacetamide
PubChem CID132598118
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-tert-butyl-2-(1H-indol-5-yl)-2-oxoacetamide
SMILESCC(C)(C)NC(=O)C(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C14H16N2O2/c1-14(2,3)16-13(18)12(17)10-4-5-11-9(8-10)6-7-15-11/h4-8,15H,1-3H3,(H,16,18)
InChIKeyAXJNIUZGEDJBBY-UHFFFAOYSA-N
XLogP2.27
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.27
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

N-tert-butyl-1H-indole-6-carboxamide
CID 47299645
N-(1-amino-2-methylpropan-2-yl)-1H-indole-5-carboxamide
CID 55231181
N-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide
CID 113282701
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-indole-5-carboxamide
CID 107846667
3-(1H-indol-5-yl)-3-oxopropanoic acid
CID 170886874
(2R)-1-(1H-indol-5-yl)-2-(methylamino)propan-1-one
CID 97056556
N-tert-butyl-2-(1H-indol-5-ylmethylamino)acetamide
CID 102911664
tert-butyl formate;1-(1H-indol-5-yl)ethanone
CID 174513916
N-(1-amino-2,4-dimethylpentan-2-yl)-1H-indole-5-carboxamide
CID 115309725
N-prop-2-ynyl-1H-indole-5-carboxamide
CID 63717307
N-(3-methylbutan-2-yl)-1H-indole-5-carboxamide
CID 63718611
ethane;1H-indole-6-carboxylic acid
CID 142472960

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(1H-indol-5-yl)-2-oxoacetamide?
The IUPAC name of N-tert-butyl-2-(1H-indol-5-yl)-2-oxoacetamide (CID 132598118) is N-tert-butyl-2-(1H-indol-5-yl)-2-oxoacetamide.
What is the SMILES notation for N-tert-butyl-2-(1H-indol-5-yl)-2-oxoacetamide?
The canonical SMILES for N-tert-butyl-2-(1H-indol-5-yl)-2-oxoacetamide is CC(C)(C)NC(=O)C(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-tert-butyl-2-(1H-indol-5-yl)-2-oxoacetamide?
The InChIKey is AXJNIUZGEDJBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-14(2,3)16-13(18)12(17)10-4-5-11-9(8-10)6-7-15-11/h4-8,15H,1-3H3,(H,16,18).
What are the key properties of N-tert-butyl-2-(1H-indol-5-yl)-2-oxoacetamide?
N-tert-butyl-2-(1H-indol-5-yl)-2-oxoacetamide has a molecular weight of 244.29 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(1H-indol-5-yl)-2-oxoacetamide is sourced from PubChem (CID 132598118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).