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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Related Compounds

6-hydroxy-1,2-dimethyl-N-(2-methylpropyl)indole-3-carboxamide
CID 22143555
6-methoxy-1,2-dimethylindole-3-carboxamide
CID 71165672
N-[(3-fluorophenyl)methyl]-5-methoxy-1,2-dimethylindole-3-carboxamide
CID 24804939
3-acetyl-6-methoxy-1-methylindole-2-carboxylic acid
CID 84632711
1-(5-methoxy-1,2-dimethylindol-3-yl)-2-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]sulfanylethanone
CID 3429472
(E)-3-(6-methoxy-1,2-dimethylindol-3-yl)prop-2-enoic acid
CID 82497828
7-methoxy-2-methyl-N-(2-methylpropyl)quinoline-3-carboxamide
CID 17425471
3-amino-1-(5-methoxy-1,2-dimethylindol-3-yl)propan-1-one
CID 82118498
[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-dimethylazanium
CID 3714981
6-methoxy-1-methyl-3-[(2-phenylpropylamino)methyl]indole-2-carboxylic acid
CID 53208710
3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide
CID 39314202
N-[(3R,4R)-4-hydroxyoxan-3-yl]-5-methoxy-1,2-dimethylindole-3-carboxamide
CID 91791830

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).