N-tert-butyl-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide

C21H28N2O2 — CID 955482

IUPACN-tert-butyl-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide
SMILESCC(C)(C)NC(=O)Cn1cc(C(=O)C2CCCCC2)c2ccccc21
InChIInChI=1S/C21H28N2O2/c1-21(2,3)22-19(24)14-23-13-17(16-11-7-8-12-18(16)23)20(25)15-9-5-4-6-10-15/h7-8,11-13,15H,4-6,9-10,14H2,1-3H3,(H,22,24)
InChIKeyVHTYKLBDOHPXRT-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.32
Rot. Bonds4

About N-tert-butyl-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide

N-tert-butyl-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide (PubChem CID 955482) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-tert-butyl-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide
PubChem CID955482
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-tert-butyl-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide
SMILESCC(C)(C)NC(=O)Cn1cc(C(=O)C2CCCCC2)c2ccccc21
InChIInChI=1S/C21H28N2O2/c1-21(2,3)22-19(24)14-23-13-17(16-11-7-8-12-18(16)23)20(25)15-9-5-4-6-10-15/h7-8,11-13,15H,4-6,9-10,14H2,1-3H3,(H,22,24)
InChIKeyVHTYKLBDOHPXRT-UHFFFAOYSA-N
XLogP4.32
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-cyclopropylacetamide
CID 2226331
2-[3-(cyclohexanecarbonyl)indol-1-yl]acetate
CID 3428348
2-(3-acetylindol-1-yl)-N-tert-butylacetamide
CID 972491
2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 4114472
2-[3-(cyclohexanecarbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
CID 654893
[1-[(2-chlorophenyl)methyl]indol-3-yl]-cyclohexylmethanone
CID 4319147
2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone
CID 963220
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 963184
methyl 1-[2-(cyclohexylamino)-2-oxoethyl]indole-3-carboxylate
CID 645611
methyl 1-[2-(cycloheptylamino)-2-oxoethyl]indole-3-carboxylate
CID 848129
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 963182
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-methyl-N-phenylacetamide
CID 21370258

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide (CID 955482) is N-tert-butyl-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide is CC(C)(C)NC(=O)Cn1cc(C(=O)C2CCCCC2)c2ccccc21.
What is the InChIKey of N-tert-butyl-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide?
The InChIKey is VHTYKLBDOHPXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-21(2,3)22-19(24)14-23-13-17(16-11-7-8-12-18(16)23)20(25)15-9-5-4-6-10-15/h7-8,11-13,15H,4-6,9-10,14H2,1-3H3,(H,22,24).
What are the key properties of N-tert-butyl-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide?
N-tert-butyl-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide has a molecular weight of 340.47 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide is sourced from PubChem (CID 955482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).