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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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).