N-(6-morpholin-4-yl-3-pyridinyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide

C23H25N3O4 — CID 37274733

IUPACN-(6-morpholin-4-yl-3-pyridinyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
SMILESO=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C23H25N3O4/c27-23(25-16-5-8-22(24-14-16)26-9-11-28-12-10-26)15-29-17-6-7-21-19(13-17)18-3-1-2-4-20(18)30-21/h5-8,13-14H,1-4,9-12,15H2,(H,25,27)
InChIKeyXNHLEVNWCPDWMI-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.56
Rot. Bonds5

About N-(6-morpholin-4-yl-3-pyridinyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide

N-(6-morpholin-4-yl-3-pyridinyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide (PubChem CID 37274733) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-(6-morpholin-4-yl-3-pyridinyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide.

Molecular Properties

Compound NameN-(6-morpholin-4-yl-3-pyridinyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
PubChem CID37274733
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-(6-morpholin-4-yl-3-pyridinyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
SMILESO=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C23H25N3O4/c27-23(25-16-5-8-22(24-14-16)26-9-11-28-12-10-26)15-29-17-6-7-21-19(13-17)18-3-1-2-4-20(18)30-21/h5-8,13-14H,1-4,9-12,15H2,(H,25,27)
InChIKeyXNHLEVNWCPDWMI-UHFFFAOYSA-N
XLogP3.56
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-morpholin-4-yl-3-pyridinyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide?
The IUPAC name of N-(6-morpholin-4-yl-3-pyridinyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide (CID 37274733) is N-(6-morpholin-4-yl-3-pyridinyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide.
What is the SMILES notation for N-(6-morpholin-4-yl-3-pyridinyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide?
The canonical SMILES for N-(6-morpholin-4-yl-3-pyridinyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide is O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccc(N2CCOCC2)nc1.
What is the InChIKey of N-(6-morpholin-4-yl-3-pyridinyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide?
The InChIKey is XNHLEVNWCPDWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c27-23(25-16-5-8-22(24-14-16)26-9-11-28-12-10-26)15-29-17-6-7-21-19(13-17)18-3-1-2-4-20(18)30-21/h5-8,13-14H,1-4,9-12,15H2,(H,25,27).
What are the key properties of N-(6-morpholin-4-yl-3-pyridinyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide?
N-(6-morpholin-4-yl-3-pyridinyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide has a molecular weight of 407.47 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-morpholin-4-yl-3-pyridinyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide is sourced from PubChem (CID 37274733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).