N-(furan-2-ylmethyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide

C16H16N2O3 — CID 113205399

IUPACN-(furan-2-ylmethyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc2c(C)c(C(=O)NCc3ccco3)[nH]c2c1
InChIInChI=1S/C16H16N2O3/c1-10-13-6-5-11(20-2)8-14(13)18-15(10)16(19)17-9-12-4-3-7-21-12/h3-8,18H,9H2,1-2H3,(H,17,19)
InChIKeyADFNAIDNMKSXFM-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.01
Rot. Bonds4

About N-(furan-2-ylmethyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide

N-(furan-2-ylmethyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide (PubChem CID 113205399) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide
PubChem CID113205399
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC NameN-(furan-2-ylmethyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc2c(C)c(C(=O)NCc3ccco3)[nH]c2c1
InChIInChI=1S/C16H16N2O3/c1-10-13-6-5-11(20-2)8-14(13)18-15(10)16(19)17-9-12-4-3-7-21-12/h3-8,18H,9H2,1-2H3,(H,17,19)
InChIKeyADFNAIDNMKSXFM-UHFFFAOYSA-N
XLogP3.01
TPSA67.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-6-methoxy-2-methyl-1H-indole-3-carboxamide
CID 110850471
6-methoxy-N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-carboxamide
CID 113205411
N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-3-carboxamide
CID 110469584
6-methoxy-3-methyl-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide
CID 113205416
N-(furan-2-ylmethyl)-2,4-dimethoxybenzamide
CID 3118683
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide
CID 99790211
N-(furan-2-ylmethyl)-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 15995150
N-(furan-2-ylmethyl)-4-methoxy-2,3,5-trimethylbenzamide
CID 110762882
N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide
CID 1089288
6-methoxy-3-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 113205404
N-(3-acetylphenyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113205511
2-(2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)acetamide
CID 54814023

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide (CID 113205399) is N-(furan-2-ylmethyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide is COc1ccc2c(C)c(C(=O)NCc3ccco3)[nH]c2c1.
What is the InChIKey of N-(furan-2-ylmethyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide?
The InChIKey is ADFNAIDNMKSXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-13-6-5-11(20-2)8-14(13)18-15(10)16(19)17-9-12-4-3-7-21-12/h3-8,18H,9H2,1-2H3,(H,17,19).
What are the key properties of N-(furan-2-ylmethyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide?
N-(furan-2-ylmethyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 113205399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).