1-methyl-3-(2-methylpropyl)indole-2-carboxamide

C14H18N2O — CID 173435951

IUPAC1-methyl-3-(2-methylpropyl)indole-2-carboxamide
SMILESCC(C)Cc1c(C(N)=O)n(C)c2ccccc12
InChIInChI=1S/C14H18N2O/c1-9(2)8-11-10-6-4-5-7-12(10)16(3)13(11)14(15)17/h4-7,9H,8H2,1-3H3,(H2,15,17)
InChIKeyRRAIFQXDVDKUMR-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.48
Rot. Bonds3

About 1-methyl-3-(2-methylpropyl)indole-2-carboxamide

1-methyl-3-(2-methylpropyl)indole-2-carboxamide (PubChem CID 173435951) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-methyl-3-(2-methylpropyl)indole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-3-(2-methylpropyl)indole-2-carboxamide
PubChem CID173435951
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-methyl-3-(2-methylpropyl)indole-2-carboxamide
SMILESCC(C)Cc1c(C(N)=O)n(C)c2ccccc12
InChIInChI=1S/C14H18N2O/c1-9(2)8-11-10-6-4-5-7-12(10)16(3)13(11)14(15)17/h4-7,9H,8H2,1-3H3,(H2,15,17)
InChIKeyRRAIFQXDVDKUMR-UHFFFAOYSA-N
XLogP2.48
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyl-3-(2-methylpropyl)indole-2-carboxamide?
The IUPAC name of 1-methyl-3-(2-methylpropyl)indole-2-carboxamide (CID 173435951) is 1-methyl-3-(2-methylpropyl)indole-2-carboxamide.
What is the SMILES notation for 1-methyl-3-(2-methylpropyl)indole-2-carboxamide?
The canonical SMILES for 1-methyl-3-(2-methylpropyl)indole-2-carboxamide is CC(C)Cc1c(C(N)=O)n(C)c2ccccc12.
What is the InChIKey of 1-methyl-3-(2-methylpropyl)indole-2-carboxamide?
The InChIKey is RRAIFQXDVDKUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9(2)8-11-10-6-4-5-7-12(10)16(3)13(11)14(15)17/h4-7,9H,8H2,1-3H3,(H2,15,17).
What are the key properties of 1-methyl-3-(2-methylpropyl)indole-2-carboxamide?
1-methyl-3-(2-methylpropyl)indole-2-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylpropyl)indole-2-carboxamide is sourced from PubChem (CID 173435951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).