1-ethyl-N-(furan-2-ylmethyl)-3-methylindole-2-carboxamide

C17H18N2O2 — CID 110497370

IUPAC1-ethyl-N-(furan-2-ylmethyl)-3-methylindole-2-carboxamide
SMILESCCn1c(C(=O)NCc2ccco2)c(C)c2ccccc21
InChIInChI=1S/C17H18N2O2/c1-3-19-15-9-5-4-8-14(15)12(2)16(19)17(20)18-11-13-7-6-10-21-13/h4-10H,3,11H2,1-2H3,(H,18,20)
InChIKeyIUCWITAYADJBLH-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.49
Rot. Bonds4

About 1-ethyl-N-(furan-2-ylmethyl)-3-methylindole-2-carboxamide

1-ethyl-N-(furan-2-ylmethyl)-3-methylindole-2-carboxamide (PubChem CID 110497370) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-ethyl-N-(furan-2-ylmethyl)-3-methylindole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(furan-2-ylmethyl)-3-methylindole-2-carboxamide
PubChem CID110497370
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-ethyl-N-(furan-2-ylmethyl)-3-methylindole-2-carboxamide
SMILESCCn1c(C(=O)NCc2ccco2)c(C)c2ccccc21
InChIInChI=1S/C17H18N2O2/c1-3-19-15-9-5-4-8-14(15)12(2)16(19)17(20)18-11-13-7-6-10-21-13/h4-10H,3,11H2,1-2H3,(H,18,20)
InChIKeyIUCWITAYADJBLH-UHFFFAOYSA-N
XLogP3.49
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.49
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

N-benzyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497374
N-(2,6-dimethylphenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110501475
1-butyl-N-(furan-2-ylmethyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54680132
N-(furan-2-ylmethyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8868004
N-cyclopentyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497379
N-(furan-2-ylmethyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7732316
N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110501443
N-(furan-2-ylmethyl)-2-naphthalen-1-ylacetamide
CID 823822
3-ethyl-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110674625
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
CID 18119091
1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide
CID 110501570
N-(furan-2-ylmethyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4195207

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(furan-2-ylmethyl)-3-methylindole-2-carboxamide?
The IUPAC name of 1-ethyl-N-(furan-2-ylmethyl)-3-methylindole-2-carboxamide (CID 110497370) is 1-ethyl-N-(furan-2-ylmethyl)-3-methylindole-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-(furan-2-ylmethyl)-3-methylindole-2-carboxamide?
The canonical SMILES for 1-ethyl-N-(furan-2-ylmethyl)-3-methylindole-2-carboxamide is CCn1c(C(=O)NCc2ccco2)c(C)c2ccccc21.
What is the InChIKey of 1-ethyl-N-(furan-2-ylmethyl)-3-methylindole-2-carboxamide?
The InChIKey is IUCWITAYADJBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-19-15-9-5-4-8-14(15)12(2)16(19)17(20)18-11-13-7-6-10-21-13/h4-10H,3,11H2,1-2H3,(H,18,20).
What are the key properties of 1-ethyl-N-(furan-2-ylmethyl)-3-methylindole-2-carboxamide?
1-ethyl-N-(furan-2-ylmethyl)-3-methylindole-2-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(furan-2-ylmethyl)-3-methylindole-2-carboxamide is sourced from PubChem (CID 110497370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).