(2,6-dimethylmorpholin-4-yl)-(3-methyl-1-benzofuran-2-yl)methanone

C16H19NO3 — CID 2970615

IUPAC(2,6-dimethylmorpholin-4-yl)-(3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)N2CC(C)OC(C)C2)oc2ccccc12
InChIInChI=1S/C16H19NO3/c1-10-8-17(9-11(2)19-10)16(18)15-12(3)13-6-4-5-7-14(13)20-15/h4-7,10-11H,8-9H2,1-3H3
InChIKeyQIKBEDMTOIIEMJ-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.99
Rot. Bonds1

About (2,6-dimethylmorpholin-4-yl)-(3-methyl-1-benzofuran-2-yl)methanone

(2,6-dimethylmorpholin-4-yl)-(3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 2970615) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-(3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-(3-methyl-1-benzofuran-2-yl)methanone
PubChem CID2970615
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(2,6-dimethylmorpholin-4-yl)-(3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)N2CC(C)OC(C)C2)oc2ccccc12
InChIInChI=1S/C16H19NO3/c1-10-8-17(9-11(2)19-10)16(18)15-12(3)13-6-4-5-7-14(13)20-15/h4-7,10-11H,8-9H2,1-3H3
InChIKeyQIKBEDMTOIIEMJ-UHFFFAOYSA-N
XLogP2.99
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-(3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-(3-methyl-1-benzofuran-2-yl)methanone (CID 2970615) is (2,6-dimethylmorpholin-4-yl)-(3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-(3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-(3-methyl-1-benzofuran-2-yl)methanone is Cc1c(C(=O)N2CC(C)OC(C)C2)oc2ccccc12.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-(3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is QIKBEDMTOIIEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-10-8-17(9-11(2)19-10)16(18)15-12(3)13-6-4-5-7-14(13)20-15/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-(3-methyl-1-benzofuran-2-yl)methanone?
(2,6-dimethylmorpholin-4-yl)-(3-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 273.33 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-(3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 2970615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).