N-cyclohexyl-2-[3-(furan-2-carbonyl)indol-1-yl]acetamide

C21H22N2O3 — CID 1091502

IUPACN-cyclohexyl-2-[3-(furan-2-carbonyl)indol-1-yl]acetamide
SMILESO=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)NC1CCCCC1
InChIInChI=1S/C21H22N2O3/c24-20(22-15-7-2-1-3-8-15)14-23-13-17(16-9-4-5-10-18(16)23)21(25)19-11-6-12-26-19/h4-6,9-13,15H,1-3,7-8,14H2,(H,22,24)
InChIKeySZUBIPYHQGQAFO-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.91
Rot. Bonds5

About N-cyclohexyl-2-[3-(furan-2-carbonyl)indol-1-yl]acetamide

N-cyclohexyl-2-[3-(furan-2-carbonyl)indol-1-yl]acetamide (PubChem CID 1091502) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-(furan-2-carbonyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-(furan-2-carbonyl)indol-1-yl]acetamide
PubChem CID1091502
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-cyclohexyl-2-[3-(furan-2-carbonyl)indol-1-yl]acetamide
SMILESO=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)NC1CCCCC1
InChIInChI=1S/C21H22N2O3/c24-20(22-15-7-2-1-3-8-15)14-23-13-17(16-9-4-5-10-18(16)23)21(25)19-11-6-12-26-19/h4-6,9-13,15H,1-3,7-8,14H2,(H,22,24)
InChIKeySZUBIPYHQGQAFO-UHFFFAOYSA-N
XLogP3.91
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(Furan-2-Yl)Carbonyl]-(S)-Leucyl-(R)-[1-Amino-2(1h-Indol-3-Yl)Ethyl]-Phosphonic Acid
CID 449500
3-(1-benzofuran-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327664
furan-2-yl(1H-indol-3-yl)methanone
CID 958611
3-(furan-3-yl)-1H-indole
CID 10607518
1-(4-benzoylpiperazin-1-yl)-2-[7-(2-furyl)-4-methoxy-1H-indol-3-yl]ethane-1,2-dione
CID 507825
5-{4-[4-(5-Fluoro-1H-indol-3-yl)-butyl]-piperazin-1-yl}-benzofuran-2-carboxylic acid amide
CID 11316467
3-(1-Benzofuran-3-yl)-4-(5-fluoro-1-methylindol-3-yl)pyrrole-2,5-dione
CID 16741551
3-Benzofuran-3-yl-4-(7-methoxymethyl-1-methyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 44582838
2-(1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide
CID 2227674
1-(2,6-dimethyl-1H-indol-3-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 1932249
2-(2-Furoyl)-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 4917368
1-(1H-Indol-3-ylcarbonyl)-N-(4-methoxybenzyl)formamide
CID 1588018

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-(furan-2-carbonyl)indol-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[3-(furan-2-carbonyl)indol-1-yl]acetamide (CID 1091502) is N-cyclohexyl-2-[3-(furan-2-carbonyl)indol-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[3-(furan-2-carbonyl)indol-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[3-(furan-2-carbonyl)indol-1-yl]acetamide is O=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[3-(furan-2-carbonyl)indol-1-yl]acetamide?
The InChIKey is SZUBIPYHQGQAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c24-20(22-15-7-2-1-3-8-15)14-23-13-17(16-9-4-5-10-18(16)23)21(25)19-11-6-12-26-19/h4-6,9-13,15H,1-3,7-8,14H2,(H,22,24).
What are the key properties of N-cyclohexyl-2-[3-(furan-2-carbonyl)indol-1-yl]acetamide?
N-cyclohexyl-2-[3-(furan-2-carbonyl)indol-1-yl]acetamide has a molecular weight of 350.42 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-(furan-2-carbonyl)indol-1-yl]acetamide is sourced from PubChem (CID 1091502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).