6-ethenyl-1-methyl-N-pentylindole-3-carboxamide

C17H22N2O — CID 172654848

IUPAC6-ethenyl-1-methyl-N-pentylindole-3-carboxamide
SMILESC=Cc1ccc2c(C(=O)NCCCCC)cn(C)c2c1
InChIInChI=1S/C17H22N2O/c1-4-6-7-10-18-17(20)15-12-19(3)16-11-13(5-2)8-9-14(15)16/h5,8-9,11-12H,2,4,6-7,10H2,1,3H3,(H,18,20)
InChIKeyAFPVJTIGANTBAG-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.74
Rot. Bonds6

About 6-ethenyl-1-methyl-N-pentylindole-3-carboxamide

6-ethenyl-1-methyl-N-pentylindole-3-carboxamide (PubChem CID 172654848) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 6-ethenyl-1-methyl-N-pentylindole-3-carboxamide.

Molecular Properties

Compound Name6-ethenyl-1-methyl-N-pentylindole-3-carboxamide
PubChem CID172654848
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name6-ethenyl-1-methyl-N-pentylindole-3-carboxamide
SMILESC=Cc1ccc2c(C(=O)NCCCCC)cn(C)c2c1
InChIInChI=1S/C17H22N2O/c1-4-6-7-10-18-17(20)15-12-19(3)16-11-13(5-2)8-9-14(15)16/h5,8-9,11-12H,2,4,6-7,10H2,1,3H3,(H,18,20)
InChIKeyAFPVJTIGANTBAG-UHFFFAOYSA-N
XLogP3.74
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N,3-N,6-N,8-N-tetra(tetradecyl)pyrene-1,3,6,8-tetracarboxamide
CID 102360189
1-[(1-methylindole-3-carbonyl)amino]-3-pentylthiourea
CID 9187866
1-acetyl-N-pentylindole-3-carboxamide
CID 113207899
5-ethenyl-N-ethyl-2-methylbenzamide
CID 154815188
ethyl 4-[3-(nonylcarbamoyl)indol-1-yl]butanoate
CID 22400562
N-butyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 20859084
4,6-bis(hexylcarbamoyl)benzene-1,3-dicarboxylic acid
CID 156689040
N'-hexanoyl-1-methylindole-3-carbohydrazide
CID 46549476
N-butyl-2-(1-methylindol-3-yl)-2-oxoacetamide
CID 44596466
5-amino-N-butyl-1-methyl-4-oxoquinoline-3-carboxamide
CID 82212638
2-chloro-4-methyl-N-pentylbenzamide
CID 99835956
2-fluoro-4-methyl-N-pentylbenzamide
CID 79770349

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-1-methyl-N-pentylindole-3-carboxamide?
The IUPAC name of 6-ethenyl-1-methyl-N-pentylindole-3-carboxamide (CID 172654848) is 6-ethenyl-1-methyl-N-pentylindole-3-carboxamide.
What is the SMILES notation for 6-ethenyl-1-methyl-N-pentylindole-3-carboxamide?
The canonical SMILES for 6-ethenyl-1-methyl-N-pentylindole-3-carboxamide is C=Cc1ccc2c(C(=O)NCCCCC)cn(C)c2c1.
What is the InChIKey of 6-ethenyl-1-methyl-N-pentylindole-3-carboxamide?
The InChIKey is AFPVJTIGANTBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-6-7-10-18-17(20)15-12-19(3)16-11-13(5-2)8-9-14(15)16/h5,8-9,11-12H,2,4,6-7,10H2,1,3H3,(H,18,20).
What are the key properties of 6-ethenyl-1-methyl-N-pentylindole-3-carboxamide?
6-ethenyl-1-methyl-N-pentylindole-3-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-1-methyl-N-pentylindole-3-carboxamide is sourced from PubChem (CID 172654848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).