2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-cyclopropylacetamide

C20H24N2O2 — CID 2226331

IUPAC2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-cyclopropylacetamide
SMILESO=C(Cn1cc(C(=O)C2CCCCC2)c2ccccc21)NC1CC1
InChIInChI=1S/C20H24N2O2/c23-19(21-15-10-11-15)13-22-12-17(16-8-4-5-9-18(16)22)20(24)14-6-2-1-3-7-14/h4-5,8-9,12,14-15H,1-3,6-7,10-11,13H2,(H,21,23)
InChIKeyPOSRQEFAPZIPBW-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.68
Rot. Bonds5

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

2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-cyclopropylacetamide (PubChem CID 2226331) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-cyclopropylacetamide
PubChem CID2226331
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-cyclopropylacetamide
SMILESO=C(Cn1cc(C(=O)C2CCCCC2)c2ccccc21)NC1CC1
InChIInChI=1S/C20H24N2O2/c23-19(21-15-10-11-15)13-22-12-17(16-8-4-5-9-18(16)22)20(24)14-6-2-1-3-7-14/h4-5,8-9,12,14-15H,1-3,6-7,10-11,13H2,(H,21,23)
InChIKeyPOSRQEFAPZIPBW-UHFFFAOYSA-N
XLogP3.68
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-benzoylindol-1-yl)-N-cyclohexylacetamide
CID 2202973
N-tert-butyl-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide
CID 955482
2-[3-(cyclohexanecarbonyl)indol-1-yl]acetate
CID 3428348
methyl 1-[2-(cyclohexylamino)-2-oxoethyl]indole-3-carboxylate
CID 645611
methyl 1-[2-(cycloheptylamino)-2-oxoethyl]indole-3-carboxylate
CID 848129
2-[3-(cyclohexanecarbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
CID 654893
N-cyclopropyl-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide
CID 4028183
2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 4114472
N-cyclopropyl-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
CID 2974463
2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclododecylacetamide
CID 30554001
[1-[(2-chlorophenyl)methyl]indol-3-yl]-cyclohexylmethanone
CID 4319147
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 963184

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-cyclopropylacetamide (CID 2226331) is 2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-cyclopropylacetamide is O=C(Cn1cc(C(=O)C2CCCCC2)c2ccccc21)NC1CC1.
What is the InChIKey of 2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-cyclopropylacetamide?
The InChIKey is POSRQEFAPZIPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-19(21-15-10-11-15)13-22-12-17(16-8-4-5-9-18(16)22)20(24)14-6-2-1-3-7-14/h4-5,8-9,12,14-15H,1-3,6-7,10-11,13H2,(H,21,23).
What are the key properties of 2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-cyclopropylacetamide?
2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-cyclopropylacetamide has a molecular weight of 324.42 g/mol, XLogP of 3.68, 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-cyclopropylacetamide is sourced from PubChem (CID 2226331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).