2-[3-(cyclohexanecarbonyl)indol-1-yl]acetate

C17H18NO3- — CID 3428348

IUPAC2-[3-(cyclohexanecarbonyl)indol-1-yl]acetate
SMILESO=C([O-])Cn1cc(C(=O)C2CCCCC2)c2ccccc21
InChIInChI=1S/C17H19NO3/c19-16(20)11-18-10-14(13-8-4-5-9-15(13)18)17(21)12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2,(H,19,20)/p-1
InChIKeyAJWJGLLQTPRJBZ-UHFFFAOYSA-M
MW284.33 g/mol
LogP2.15
Rot. Bonds4

About 2-[3-(cyclohexanecarbonyl)indol-1-yl]acetate

2-[3-(cyclohexanecarbonyl)indol-1-yl]acetate (PubChem CID 3428348) has the molecular formula C17H18NO3- and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-[3-(cyclohexanecarbonyl)indol-1-yl]acetate.

Molecular Properties

Compound Name2-[3-(cyclohexanecarbonyl)indol-1-yl]acetate
PubChem CID3428348
Molecular FormulaC17H18NO3-
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name2-[3-(cyclohexanecarbonyl)indol-1-yl]acetate
SMILESO=C([O-])Cn1cc(C(=O)C2CCCCC2)c2ccccc21
InChIInChI=1S/C17H19NO3/c19-16(20)11-18-10-14(13-8-4-5-9-15(13)18)17(21)12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2,(H,19,20)/p-1
InChIKeyAJWJGLLQTPRJBZ-UHFFFAOYSA-M
XLogP2.15
TPSA62.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(cyclohexanecarbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
CID 654893
N-tert-butyl-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide
CID 955482
2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-cyclopropylacetamide
CID 2226331
[1-[(2-chlorophenyl)methyl]indol-3-yl]-cyclohexylmethanone
CID 4319147
2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 4114472
2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone
CID 963220
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-methyl-N-phenylacetamide
CID 21370258
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 963184
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 963182
1-[3-(cyclopropanecarbonyl)indol-1-yl]-4-(furan-2-yl)butan-2-one
CID 164977768
2-(3-chloroindol-1-yl)-1-cyclopentylethanone
CID 104751384
1-[2-(azepan-1-yl)-2-oxoethyl]indole-3-carboxylic acid
CID 43825868

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexanecarbonyl)indol-1-yl]acetate?
The IUPAC name of 2-[3-(cyclohexanecarbonyl)indol-1-yl]acetate (CID 3428348) is 2-[3-(cyclohexanecarbonyl)indol-1-yl]acetate.
What is the SMILES notation for 2-[3-(cyclohexanecarbonyl)indol-1-yl]acetate?
The canonical SMILES for 2-[3-(cyclohexanecarbonyl)indol-1-yl]acetate is O=C([O-])Cn1cc(C(=O)C2CCCCC2)c2ccccc21.
What is the InChIKey of 2-[3-(cyclohexanecarbonyl)indol-1-yl]acetate?
The InChIKey is AJWJGLLQTPRJBZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H19NO3/c19-16(20)11-18-10-14(13-8-4-5-9-15(13)18)17(21)12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2,(H,19,20)/p-1.
What are the key properties of 2-[3-(cyclohexanecarbonyl)indol-1-yl]acetate?
2-[3-(cyclohexanecarbonyl)indol-1-yl]acetate has a molecular weight of 284.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexanecarbonyl)indol-1-yl]acetate is sourced from PubChem (CID 3428348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).