N-tert-butyl-2-indol-1-ylacetamide

C14H18N2O — CID 47348922

IUPACN-tert-butyl-2-indol-1-ylacetamide
SMILESCC(C)(C)NC(=O)Cn1ccc2ccccc21
InChIInChI=1S/C14H18N2O/c1-14(2,3)15-13(17)10-16-9-8-11-6-4-5-7-12(11)16/h4-9H,10H2,1-3H3,(H,15,17)
InChIKeyQEVAHSSNBTXXJU-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.56
Rot. Bonds2

About N-tert-butyl-2-indol-1-ylacetamide

N-tert-butyl-2-indol-1-ylacetamide (PubChem CID 47348922) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-tert-butyl-2-indol-1-ylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-indol-1-ylacetamide
PubChem CID47348922
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-tert-butyl-2-indol-1-ylacetamide
SMILESCC(C)(C)NC(=O)Cn1ccc2ccccc21
InChIInChI=1S/C14H18N2O/c1-14(2,3)15-13(17)10-16-9-8-11-6-4-5-7-12(11)16/h4-9H,10H2,1-3H3,(H,15,17)
InChIKeyQEVAHSSNBTXXJU-UHFFFAOYSA-N
XLogP2.56
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-(5-methoxyindol-1-yl)acetamide
CID 115582184
N'-acetyl-2-indol-1-ylacetohydrazide
CID 4587603
N-tert-butyl-2-(4-methylindol-1-yl)acetamide
CID 116620352
N-(cyanomethyl)-2-indol-1-ylacetamide
CID 55220475
N-tert-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
CID 102916733
potassium 2-indol-1-ylacetate
CID 172851034
N'-(2-indol-1-ylacetyl)-2-phenylacetohydrazide
CID 17080293
2-[(2-indol-1-ylacetyl)amino]butanoic acid
CID 119223861
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-indol-1-ylacetamide
CID 111481492
N-(benzenesulfonyl)-2-indol-1-ylacetamide
CID 87044187
N-(1,3-dioxoisoindol-2-yl)-2-indol-1-ylacetamide
CID 17080239
2-indol-1-yl-N-[(4-methoxyphenyl)methyl]acetamide
CID 4224442

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-indol-1-ylacetamide?
The IUPAC name of N-tert-butyl-2-indol-1-ylacetamide (CID 47348922) is N-tert-butyl-2-indol-1-ylacetamide.
What is the SMILES notation for N-tert-butyl-2-indol-1-ylacetamide?
The canonical SMILES for N-tert-butyl-2-indol-1-ylacetamide is CC(C)(C)NC(=O)Cn1ccc2ccccc21.
What is the InChIKey of N-tert-butyl-2-indol-1-ylacetamide?
The InChIKey is QEVAHSSNBTXXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-14(2,3)15-13(17)10-16-9-8-11-6-4-5-7-12(11)16/h4-9H,10H2,1-3H3,(H,15,17).
What are the key properties of N-tert-butyl-2-indol-1-ylacetamide?
N-tert-butyl-2-indol-1-ylacetamide has a molecular weight of 230.31 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-indol-1-ylacetamide is sourced from PubChem (CID 47348922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).