1-benzyl-N-(furan-2-ylmethyl)-2,3-dimethylindole-5-carboxamide

C23H22N2O2 — CID 1028319

IUPAC1-benzyl-N-(furan-2-ylmethyl)-2,3-dimethylindole-5-carboxamide
SMILESCc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCc3ccco3)cc12
InChIInChI=1S/C23H22N2O2/c1-16-17(2)25(15-18-7-4-3-5-8-18)22-11-10-19(13-21(16)22)23(26)24-14-20-9-6-12-27-20/h3-13H,14-15H2,1-2H3,(H,24,26)
InChIKeyXGPHGTSBJBRRFU-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.83
Rot. Bonds5

About 1-benzyl-N-(furan-2-ylmethyl)-2,3-dimethylindole-5-carboxamide

1-benzyl-N-(furan-2-ylmethyl)-2,3-dimethylindole-5-carboxamide (PubChem CID 1028319) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-benzyl-N-(furan-2-ylmethyl)-2,3-dimethylindole-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(furan-2-ylmethyl)-2,3-dimethylindole-5-carboxamide
PubChem CID1028319
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name1-benzyl-N-(furan-2-ylmethyl)-2,3-dimethylindole-5-carboxamide
SMILESCc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCc3ccco3)cc12
InChIInChI=1S/C23H22N2O2/c1-16-17(2)25(15-18-7-4-3-5-8-18)22-11-10-19(13-21(16)22)23(26)24-14-20-9-6-12-27-20/h3-13H,14-15H2,1-2H3,(H,24,26)
InChIKeyXGPHGTSBJBRRFU-UHFFFAOYSA-N
XLogP4.83
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

KL001
CID 2888648
1-(9H-carbazol-9-yl)-3-(((furan-2-yl)methyl)amino)propan-2-ol
CID 652652
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
N-(furan-2-ylmethyl)-2-(1-propylindol-3-yl)sulfanylacetamide
CID 3240248
N-[4-(1H-indol-2-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 25459838
[4-(3-Carbazol-9-yl-2-hydroxy-propyl)-piperazin-1-yl]-furan-2-yl-methanone
CID 655901
N-[(1,2-dimethyl-1H-indol-5-yl)methyl]-3-methoxybenzamide
CID 5064384
(2R)-N-[(2S)-1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 10671411
(S)-2-[(R)-2-[(3,5-Dimethyl-benzoyl)-methyl-amino]-3-(4-furan-2-yl-phenyl)-propionylamino]-3-(1H-indol-3-yl)-propionic acid
CID 44311699
N-(1-adamantyl)-2-[5-(furan-2-yl)-1-pentylindol-3-yl]-2-oxoacetamide
CID 60155101
6-fluoro-N-(2-furylmethyl)-2-methyl-4-quinolinecarboxamide
CID 826914

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(furan-2-ylmethyl)-2,3-dimethylindole-5-carboxamide?
The IUPAC name of 1-benzyl-N-(furan-2-ylmethyl)-2,3-dimethylindole-5-carboxamide (CID 1028319) is 1-benzyl-N-(furan-2-ylmethyl)-2,3-dimethylindole-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-(furan-2-ylmethyl)-2,3-dimethylindole-5-carboxamide?
The canonical SMILES for 1-benzyl-N-(furan-2-ylmethyl)-2,3-dimethylindole-5-carboxamide is Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCc3ccco3)cc12.
What is the InChIKey of 1-benzyl-N-(furan-2-ylmethyl)-2,3-dimethylindole-5-carboxamide?
The InChIKey is XGPHGTSBJBRRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-16-17(2)25(15-18-7-4-3-5-8-18)22-11-10-19(13-21(16)22)23(26)24-14-20-9-6-12-27-20/h3-13H,14-15H2,1-2H3,(H,24,26).
What are the key properties of 1-benzyl-N-(furan-2-ylmethyl)-2,3-dimethylindole-5-carboxamide?
1-benzyl-N-(furan-2-ylmethyl)-2,3-dimethylindole-5-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(furan-2-ylmethyl)-2,3-dimethylindole-5-carboxamide is sourced from PubChem (CID 1028319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).