2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone

C18H24N2O3 — CID 951271

IUPAC2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
SMILESCOc1ccc2[nH]c(C)c(C(=O)CN3C[C@@H](C)O[C@@H](C)C3)c2c1
InChIInChI=1S/C18H24N2O3/c1-11-8-20(9-12(2)23-11)10-17(21)18-13(3)19-16-6-5-14(22-4)7-15(16)18/h5-7,11-12,19H,8-10H2,1-4H3/t11-,12+
InChIKeyVMLGUIRJVNAVEN-TXEJJXNPSA-N
MW316.40 g/mol
LogP2.78
Rot. Bonds4

About 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone (PubChem CID 951271) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
PubChem CID951271
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
SMILESCOc1ccc2[nH]c(C)c(C(=O)CN3C[C@@H](C)O[C@@H](C)C3)c2c1
InChIInChI=1S/C18H24N2O3/c1-11-8-20(9-12(2)23-11)10-17(21)18-13(3)19-16-6-5-14(22-4)7-15(16)18/h5-7,11-12,19H,8-10H2,1-4H3/t11-,12+
InChIKeyVMLGUIRJVNAVEN-TXEJJXNPSA-N
XLogP2.78
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone with MolForge

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Related Compounds

2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone
CID 929424
1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 604823
[2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoethyl]-dimethylazanium
CID 3714980
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methoxyphenyl)ethanone
CID 93026009
5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 6919949
methyl 5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 76852322
5-methoxy-N,N,2-trimethyl-1H-indole-3-carboxamide
CID 65335449
2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoacetyl chloride
CID 11218944
2-bromo-1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 69315136
2-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 82053854
2-hydroxy-2-methoxy-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 123676378
N-(2,5-dimethoxyphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2653031

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone (CID 951271) is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone is COc1ccc2[nH]c(C)c(C(=O)CN3C[C@@H](C)O[C@@H](C)C3)c2c1.
What is the InChIKey of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone?
The InChIKey is VMLGUIRJVNAVEN-TXEJJXNPSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-11-8-20(9-12(2)23-11)10-17(21)18-13(3)19-16-6-5-14(22-4)7-15(16)18/h5-7,11-12,19H,8-10H2,1-4H3/t11-,12+.
What are the key properties of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone?
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone has a molecular weight of 316.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 951271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).