5-methoxy-1-methyl-N-(oxan-4-ylmethyl)indole-3-carboxamide

C17H22N2O3 — CID 71754032

IUPAC5-methoxy-1-methyl-N-(oxan-4-ylmethyl)indole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)NCC1CCOCC1)cn2C
InChIInChI=1S/C17H22N2O3/c1-19-11-15(14-9-13(21-2)3-4-16(14)19)17(20)18-10-12-5-7-22-8-6-12/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,18,20)
InChIKeyJAHJQURNLYUANX-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.34
Rot. Bonds4

About 5-methoxy-1-methyl-N-(oxan-4-ylmethyl)indole-3-carboxamide

5-methoxy-1-methyl-N-(oxan-4-ylmethyl)indole-3-carboxamide (PubChem CID 71754032) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 5-methoxy-1-methyl-N-(oxan-4-ylmethyl)indole-3-carboxamide.

Molecular Properties

Compound Name5-methoxy-1-methyl-N-(oxan-4-ylmethyl)indole-3-carboxamide
PubChem CID71754032
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name5-methoxy-1-methyl-N-(oxan-4-ylmethyl)indole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)NCC1CCOCC1)cn2C
InChIInChI=1S/C17H22N2O3/c1-19-11-15(14-9-13(21-2)3-4-16(14)19)17(20)18-10-12-5-7-22-8-6-12/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,18,20)
InChIKeyJAHJQURNLYUANX-UHFFFAOYSA-N
XLogP2.34
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-methoxy-1-methylindole-3-carboxamide
CID 125413823
2-fluoro-4-methoxy-N-(oxan-4-ylmethyl)benzamide
CID 113228962
2-fluoro-4-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 113222377
6-methyl-N-(oxan-4-ylmethyl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338309
6-bromo-N-(cyclopropylmethyl)-1-methylindole-3-carboxamide
CID 172654835
5-amino-2-methoxy-N-(oxan-4-ylmethyl)benzamide
CID 55226609
N-[(4-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide
CID 106122361
2,6-dimethoxy-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 91914773
2-amino-5-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63707297
ethyl 2-(5-methoxy-1-methylindol-3-yl)-2-oxoacetate
CID 23315285
6-(3-methoxyanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44569924
N-[(4-methoxyphenyl)methyl]-1-methylindole-3-carboxamide
CID 9208154

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-N-(oxan-4-ylmethyl)indole-3-carboxamide?
The IUPAC name of 5-methoxy-1-methyl-N-(oxan-4-ylmethyl)indole-3-carboxamide (CID 71754032) is 5-methoxy-1-methyl-N-(oxan-4-ylmethyl)indole-3-carboxamide.
What is the SMILES notation for 5-methoxy-1-methyl-N-(oxan-4-ylmethyl)indole-3-carboxamide?
The canonical SMILES for 5-methoxy-1-methyl-N-(oxan-4-ylmethyl)indole-3-carboxamide is COc1ccc2c(c1)c(C(=O)NCC1CCOCC1)cn2C.
What is the InChIKey of 5-methoxy-1-methyl-N-(oxan-4-ylmethyl)indole-3-carboxamide?
The InChIKey is JAHJQURNLYUANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-19-11-15(14-9-13(21-2)3-4-16(14)19)17(20)18-10-12-5-7-22-8-6-12/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,18,20).
What are the key properties of 5-methoxy-1-methyl-N-(oxan-4-ylmethyl)indole-3-carboxamide?
5-methoxy-1-methyl-N-(oxan-4-ylmethyl)indole-3-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-N-(oxan-4-ylmethyl)indole-3-carboxamide is sourced from PubChem (CID 71754032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).