2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-(2,3-dimethylphenyl)acetamide

C25H28N2O2 — CID 4114472

IUPAC2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2cc(C(=O)C3CCCCC3)c3ccccc32)c1C
InChIInChI=1S/C25H28N2O2/c1-17-9-8-13-22(18(17)2)26-24(28)16-27-15-21(20-12-6-7-14-23(20)27)25(29)19-10-4-3-5-11-19/h6-9,12-15,19H,3-5,10-11,16H2,1-2H3,(H,26,28)
InChIKeyBFURPHZLTDPQFF-UHFFFAOYSA-N
MW388.51 g/mol
LogP5.66
Rot. Bonds5

About 2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-(2,3-dimethylphenyl)acetamide

2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 4114472) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-(2,3-dimethylphenyl)acetamide
PubChem CID4114472
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2cc(C(=O)C3CCCCC3)c3ccccc32)c1C
InChIInChI=1S/C25H28N2O2/c1-17-9-8-13-22(18(17)2)26-24(28)16-27-15-21(20-12-6-7-14-23(20)27)25(29)19-10-4-3-5-11-19/h6-9,12-15,19H,3-5,10-11,16H2,1-2H3,(H,26,28)
InChIKeyBFURPHZLTDPQFF-UHFFFAOYSA-N
XLogP5.66
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-benzoylindol-1-yl)-N-(2,3-dimethylphenyl)acetamide
CID 2953381
N-tert-butyl-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide
CID 955482
2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-cyclopropylacetamide
CID 2226331
N-(2,3-dimethylphenyl)-2-[3-(2-phenoxyacetyl)indol-1-yl]acetamide
CID 3978712
2-[3-(cyclohexanecarbonyl)indol-1-yl]acetate
CID 3428348
2-[3-(cyclohexanecarbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
CID 654893
2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 16935862
N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide
CID 3220746
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
1-benzyl-N-(2,3-dimethylphenyl)indole-3-carboxamide
CID 24661406
[1-[(2-chlorophenyl)methyl]indol-3-yl]-cyclohexylmethanone
CID 4319147

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-(2,3-dimethylphenyl)acetamide (CID 4114472) is 2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)Cn2cc(C(=O)C3CCCCC3)c3ccccc32)c1C.
What is the InChIKey of 2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is BFURPHZLTDPQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-17-9-8-13-22(18(17)2)26-24(28)16-27-15-21(20-12-6-7-14-23(20)27)25(29)19-10-4-3-5-11-19/h6-9,12-15,19H,3-5,10-11,16H2,1-2H3,(H,26,28).
What are the key properties of 2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-(2,3-dimethylphenyl)acetamide?
2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 388.51 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 4114472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).