[4-[2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone

C26H28N2O3 — CID 10477013

IUPAC[4-[2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2ccc3oc(CCN4CC=CCC4)cc3c2)cc1)N1CCOCC1
InChIInChI=1S/C26H28N2O3/c29-26(28-14-16-30-17-15-28)21-6-4-20(5-7-21)22-8-9-25-23(18-22)19-24(31-25)10-13-27-11-2-1-3-12-27/h1-2,4-9,18-19H,3,10-17H2
InChIKeyLPLQDVMVHQTAGL-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.38
Rot. Bonds5

About [4-[2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone

[4-[2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 10477013) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is [4-[2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID10477013
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name[4-[2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2ccc3oc(CCN4CC=CCC4)cc3c2)cc1)N1CCOCC1
InChIInChI=1S/C26H28N2O3/c29-26(28-14-16-30-17-15-28)21-6-4-20(5-7-21)22-8-9-25-23(18-22)19-24(31-25)10-13-27-11-2-1-3-12-27/h1-2,4-9,18-19H,3,10-17H2
InChIKeyLPLQDVMVHQTAGL-UHFFFAOYSA-N
XLogP4.38
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone (CID 10477013) is [4-[2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(-c2ccc3oc(CCN4CC=CCC4)cc3c2)cc1)N1CCOCC1.
What is the InChIKey of [4-[2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is LPLQDVMVHQTAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c29-26(28-14-16-30-17-15-28)21-6-4-20(5-7-21)22-8-9-25-23(18-22)19-24(31-25)10-13-27-11-2-1-3-12-27/h1-2,4-9,18-19H,3,10-17H2.
What are the key properties of [4-[2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone?
[4-[2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 416.52 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 10477013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).