N-[(2-tert-butyl-1H-indol-7-yl)methyl]acetamide

C15H20N2O — CID 91410373

IUPACN-[(2-tert-butyl-1H-indol-7-yl)methyl]acetamide
SMILESCC(=O)NCc1cccc2cc(C(C)(C)C)[nH]c12
InChIInChI=1S/C15H20N2O/c1-10(18)16-9-12-7-5-6-11-8-13(15(2,3)4)17-14(11)12/h5-8,17H,9H2,1-4H3,(H,16,18)
InChIKeyALPUEUIZGBKMTJ-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.10
Rot. Bonds2

About N-[(2-tert-butyl-1H-indol-7-yl)methyl]acetamide

N-[(2-tert-butyl-1H-indol-7-yl)methyl]acetamide (PubChem CID 91410373) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[(2-tert-butyl-1H-indol-7-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-tert-butyl-1H-indol-7-yl)methyl]acetamide
PubChem CID91410373
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[(2-tert-butyl-1H-indol-7-yl)methyl]acetamide
SMILESCC(=O)NCc1cccc2cc(C(C)(C)C)[nH]c12
InChIInChI=1S/C15H20N2O/c1-10(18)16-9-12-7-5-6-11-8-13(15(2,3)4)17-14(11)12/h5-8,17H,9H2,1-4H3,(H,16,18)
InChIKeyALPUEUIZGBKMTJ-UHFFFAOYSA-N
XLogP3.10
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-tert-butylphenyl)methyl]acetamide
CID 89458599
N-[[8-(hydroxymethyl)naphthalen-1-yl]methyl]acetamide
CID 59694936
ethane;N-[(2-ethylphenyl)methyl]acetamide
CID 142489172
N-(1H-indol-2-ylmethyl)acetamide
CID 66552376
tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate
CID 576438
N-[(2-bromophenyl)methyl]acetamide
CID 2824953
N-[[2-(sulfanylmethyl)phenyl]methyl]acetamide
CID 145293797
2-(tert-butylamino)-N-(naphthalen-1-ylmethyl)acetamide
CID 47185263
methyl 2-[2-(2-methoxy-2-oxoethyl)-1H-indol-7-yl]acetate
CID 11184556
N-[(3-propan-2-ylnaphthalen-1-yl)methyl]acetamide
CID 134204218
N-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]methyl]acetamide
CID 66576105
dimethyl 3-(acetamidomethyl)benzene-1,2-dicarboxylate
CID 21040132

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1H-indol-7-yl)methyl]acetamide?
The IUPAC name of N-[(2-tert-butyl-1H-indol-7-yl)methyl]acetamide (CID 91410373) is N-[(2-tert-butyl-1H-indol-7-yl)methyl]acetamide.
What is the SMILES notation for N-[(2-tert-butyl-1H-indol-7-yl)methyl]acetamide?
The canonical SMILES for N-[(2-tert-butyl-1H-indol-7-yl)methyl]acetamide is CC(=O)NCc1cccc2cc(C(C)(C)C)[nH]c12.
What is the InChIKey of N-[(2-tert-butyl-1H-indol-7-yl)methyl]acetamide?
The InChIKey is ALPUEUIZGBKMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10(18)16-9-12-7-5-6-11-8-13(15(2,3)4)17-14(11)12/h5-8,17H,9H2,1-4H3,(H,16,18).
What are the key properties of N-[(2-tert-butyl-1H-indol-7-yl)methyl]acetamide?
N-[(2-tert-butyl-1H-indol-7-yl)methyl]acetamide has a molecular weight of 244.34 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1H-indol-7-yl)methyl]acetamide is sourced from PubChem (CID 91410373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).