1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methyl-1-benzofuran-3-yl)ethanone

C19H25NO4 — CID 129351192

IUPAC1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methyl-1-benzofuran-3-yl)ethanone
SMILESCOC[C@@H]1CN(C(=O)Cc2c(C)oc3ccccc23)CC(C)(C)O1
InChIInChI=1S/C19H25NO4/c1-13-16(15-7-5-6-8-17(15)23-13)9-18(21)20-10-14(11-22-4)24-19(2,3)12-20/h5-8,14H,9-12H2,1-4H3/t14-/m0/s1
InChIKeyOMLOCBGEKCYCPF-AWEZNQCLSA-N
MW331.41 g/mol
LogP2.94
Rot. Bonds4

About 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methyl-1-benzofuran-3-yl)ethanone

1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methyl-1-benzofuran-3-yl)ethanone (PubChem CID 129351192) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methyl-1-benzofuran-3-yl)ethanone.

Molecular Properties

Compound Name1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methyl-1-benzofuran-3-yl)ethanone
PubChem CID129351192
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methyl-1-benzofuran-3-yl)ethanone
SMILESCOC[C@@H]1CN(C(=O)Cc2c(C)oc3ccccc23)CC(C)(C)O1
InChIInChI=1S/C19H25NO4/c1-13-16(15-7-5-6-8-17(15)23-13)9-18(21)20-10-14(11-22-4)24-19(2,3)12-20/h5-8,14H,9-12H2,1-4H3/t14-/m0/s1
InChIKeyOMLOCBGEKCYCPF-AWEZNQCLSA-N
XLogP2.94
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methyl-1-benzofuran-3-yl)ethanone?
The IUPAC name of 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methyl-1-benzofuran-3-yl)ethanone (CID 129351192) is 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methyl-1-benzofuran-3-yl)ethanone.
What is the SMILES notation for 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methyl-1-benzofuran-3-yl)ethanone?
The canonical SMILES for 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methyl-1-benzofuran-3-yl)ethanone is COC[C@@H]1CN(C(=O)Cc2c(C)oc3ccccc23)CC(C)(C)O1.
What is the InChIKey of 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methyl-1-benzofuran-3-yl)ethanone?
The InChIKey is OMLOCBGEKCYCPF-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25NO4/c1-13-16(15-7-5-6-8-17(15)23-13)9-18(21)20-10-14(11-22-4)24-19(2,3)12-20/h5-8,14H,9-12H2,1-4H3/t14-/m0/s1.
What are the key properties of 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methyl-1-benzofuran-3-yl)ethanone?
1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methyl-1-benzofuran-3-yl)ethanone has a molecular weight of 331.41 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methyl-1-benzofuran-3-yl)ethanone is sourced from PubChem (CID 129351192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).