N-(furan-2-ylmethyl)-1,6-dimethylindole-2-carboxamide

C16H16N2O2 — CID 110850455

IUPACN-(furan-2-ylmethyl)-1,6-dimethylindole-2-carboxamide
SMILESCc1ccc2cc(C(=O)NCc3ccco3)n(C)c2c1
InChIInChI=1S/C16H16N2O2/c1-11-5-6-12-9-15(18(2)14(12)8-11)16(19)17-10-13-4-3-7-20-13/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyZSCCKDVIQXDPBB-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.01
Rot. Bonds3

About N-(furan-2-ylmethyl)-1,6-dimethylindole-2-carboxamide

N-(furan-2-ylmethyl)-1,6-dimethylindole-2-carboxamide (PubChem CID 110850455) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1,6-dimethylindole-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1,6-dimethylindole-2-carboxamide
PubChem CID110850455
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-(furan-2-ylmethyl)-1,6-dimethylindole-2-carboxamide
SMILESCc1ccc2cc(C(=O)NCc3ccco3)n(C)c2c1
InChIInChI=1S/C16H16N2O2/c1-11-5-6-12-9-15(18(2)14(12)8-11)16(19)17-10-13-4-3-7-20-13/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyZSCCKDVIQXDPBB-UHFFFAOYSA-N
XLogP3.01
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-1-methyl-5-piperidin-1-ylsulfonylindole-2-carboxamide
CID 22579710
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
N-(furan-2-ylmethyl)-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 852295
6-(3,5-dimethylanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
CID 109368142
N-(furan-2-ylmethyl)-6-[(3-methylphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide
CID 42797213
N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-1-methylindole-2-carboxamide
CID 42537191
N-(furan-2-ylmethyl)-4-propylfuro[3,2-b]pyrrole-5-carboxamide
CID 42791099
N-(furan-2-ylmethyl)-2-(3-methylphenyl)acetamide
CID 6466784
N-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide
CID 95970655
N-(furan-2-ylmethyl)-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 3243455
3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109053943
2-chloro-N-(furan-2-ylmethyl)-3-methylbenzimidazole-5-carboxamide
CID 100788712

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1,6-dimethylindole-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1,6-dimethylindole-2-carboxamide (CID 110850455) is N-(furan-2-ylmethyl)-1,6-dimethylindole-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1,6-dimethylindole-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1,6-dimethylindole-2-carboxamide is Cc1ccc2cc(C(=O)NCc3ccco3)n(C)c2c1.
What is the InChIKey of N-(furan-2-ylmethyl)-1,6-dimethylindole-2-carboxamide?
The InChIKey is ZSCCKDVIQXDPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11-5-6-12-9-15(18(2)14(12)8-11)16(19)17-10-13-4-3-7-20-13/h3-9H,10H2,1-2H3,(H,17,19).
What are the key properties of N-(furan-2-ylmethyl)-1,6-dimethylindole-2-carboxamide?
N-(furan-2-ylmethyl)-1,6-dimethylindole-2-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1,6-dimethylindole-2-carboxamide is sourced from PubChem (CID 110850455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).