2-(dimethylamino)ethyl 4-morpholin-4-yl-6-propan-2-yloxy-1-benzofuran-2-carboxylate

C20H28N2O5 — CID 156634195

IUPAC2-(dimethylamino)ethyl 4-morpholin-4-yl-6-propan-2-yloxy-1-benzofuran-2-carboxylate
SMILESCC(C)Oc1cc(N2CCOCC2)c2cc(C(=O)OCCN(C)C)oc2c1
InChIInChI=1S/C20H28N2O5/c1-14(2)26-15-11-17(22-6-8-24-9-7-22)16-13-19(27-18(16)12-15)20(23)25-10-5-21(3)4/h11-14H,5-10H2,1-4H3
InChIKeyXDOLAIRUIOSILM-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.78
Rot. Bonds7

About 2-(dimethylamino)ethyl 4-morpholin-4-yl-6-propan-2-yloxy-1-benzofuran-2-carboxylate

2-(dimethylamino)ethyl 4-morpholin-4-yl-6-propan-2-yloxy-1-benzofuran-2-carboxylate (PubChem CID 156634195) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 4-morpholin-4-yl-6-propan-2-yloxy-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 4-morpholin-4-yl-6-propan-2-yloxy-1-benzofuran-2-carboxylate
PubChem CID156634195
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name2-(dimethylamino)ethyl 4-morpholin-4-yl-6-propan-2-yloxy-1-benzofuran-2-carboxylate
SMILESCC(C)Oc1cc(N2CCOCC2)c2cc(C(=O)OCCN(C)C)oc2c1
InChIInChI=1S/C20H28N2O5/c1-14(2)26-15-11-17(22-6-8-24-9-7-22)16-13-19(27-18(16)12-15)20(23)25-10-5-21(3)4/h11-14H,5-10H2,1-4H3
InChIKeyXDOLAIRUIOSILM-UHFFFAOYSA-N
XLogP2.78
TPSA64.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 4-morpholin-4-yl-6-propan-2-yloxy-1-benzofuran-2-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 4-morpholin-4-yl-6-propan-2-yloxy-1-benzofuran-2-carboxylate (CID 156634195) is 2-(dimethylamino)ethyl 4-morpholin-4-yl-6-propan-2-yloxy-1-benzofuran-2-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 4-morpholin-4-yl-6-propan-2-yloxy-1-benzofuran-2-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 4-morpholin-4-yl-6-propan-2-yloxy-1-benzofuran-2-carboxylate is CC(C)Oc1cc(N2CCOCC2)c2cc(C(=O)OCCN(C)C)oc2c1.
What is the InChIKey of 2-(dimethylamino)ethyl 4-morpholin-4-yl-6-propan-2-yloxy-1-benzofuran-2-carboxylate?
The InChIKey is XDOLAIRUIOSILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-14(2)26-15-11-17(22-6-8-24-9-7-22)16-13-19(27-18(16)12-15)20(23)25-10-5-21(3)4/h11-14H,5-10H2,1-4H3.
What are the key properties of 2-(dimethylamino)ethyl 4-morpholin-4-yl-6-propan-2-yloxy-1-benzofuran-2-carboxylate?
2-(dimethylamino)ethyl 4-morpholin-4-yl-6-propan-2-yloxy-1-benzofuran-2-carboxylate has a molecular weight of 376.45 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 4-morpholin-4-yl-6-propan-2-yloxy-1-benzofuran-2-carboxylate is sourced from PubChem (CID 156634195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).