6-methoxy-1,2-dimethyl-N-(2-methylpropyl)indole-3-carboxamide

C16H22N2O2 — CID 20767927

IUPAC6-methoxy-1,2-dimethyl-N-(2-methylpropyl)indole-3-carboxamide
SMILESCOc1ccc2c(C(=O)NCC(C)C)c(C)n(C)c2c1
InChIInChI=1S/C16H22N2O2/c1-10(2)9-17-16(19)15-11(3)18(4)14-8-12(20-5)6-7-13(14)15/h6-8,10H,9H2,1-5H3,(H,17,19)
InChIKeyVRISXXPVJDWXMH-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.88
Rot. Bonds4

About 6-methoxy-1,2-dimethyl-N-(2-methylpropyl)indole-3-carboxamide

6-methoxy-1,2-dimethyl-N-(2-methylpropyl)indole-3-carboxamide (PubChem CID 20767927) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 6-methoxy-1,2-dimethyl-N-(2-methylpropyl)indole-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-1,2-dimethyl-N-(2-methylpropyl)indole-3-carboxamide
PubChem CID20767927
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name6-methoxy-1,2-dimethyl-N-(2-methylpropyl)indole-3-carboxamide
SMILESCOc1ccc2c(C(=O)NCC(C)C)c(C)n(C)c2c1
InChIInChI=1S/C16H22N2O2/c1-10(2)9-17-16(19)15-11(3)18(4)14-8-12(20-5)6-7-13(14)15/h6-8,10H,9H2,1-5H3,(H,17,19)
InChIKeyVRISXXPVJDWXMH-UHFFFAOYSA-N
XLogP2.88
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,2-dimethyl-N-(2-methylpropyl)indole-3-carboxamide?
The IUPAC name of 6-methoxy-1,2-dimethyl-N-(2-methylpropyl)indole-3-carboxamide (CID 20767927) is 6-methoxy-1,2-dimethyl-N-(2-methylpropyl)indole-3-carboxamide.
What is the SMILES notation for 6-methoxy-1,2-dimethyl-N-(2-methylpropyl)indole-3-carboxamide?
The canonical SMILES for 6-methoxy-1,2-dimethyl-N-(2-methylpropyl)indole-3-carboxamide is COc1ccc2c(C(=O)NCC(C)C)c(C)n(C)c2c1.
What is the InChIKey of 6-methoxy-1,2-dimethyl-N-(2-methylpropyl)indole-3-carboxamide?
The InChIKey is VRISXXPVJDWXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10(2)9-17-16(19)15-11(3)18(4)14-8-12(20-5)6-7-13(14)15/h6-8,10H,9H2,1-5H3,(H,17,19).
What are the key properties of 6-methoxy-1,2-dimethyl-N-(2-methylpropyl)indole-3-carboxamide?
6-methoxy-1,2-dimethyl-N-(2-methylpropyl)indole-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,2-dimethyl-N-(2-methylpropyl)indole-3-carboxamide is sourced from PubChem (CID 20767927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).