N-[2-hydroxy-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide

C25H27N3O6 — CID 53320444

IUPACN-[2-hydroxy-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)cc1O
InChIInChI=1S/C25H27N3O6/c29-21-15-24(28-8-12-33-13-9-28)34-25-18(2-1-3-19(21)25)17-4-5-20(22(30)14-17)26-23(31)16-27-6-10-32-11-7-27/h1-5,14-15,30H,6-13,16H2,(H,26,31)
InChIKeyUAFBQETUXPWPCQ-UHFFFAOYSA-N
MW465.51 g/mol
LogP2.27
Rot. Bonds5

About N-[2-hydroxy-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide

N-[2-hydroxy-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide (PubChem CID 53320444) has the molecular formula C25H27N3O6 and a molecular weight of 465.51 g/mol. Its IUPAC name is N-[2-hydroxy-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[2-hydroxy-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide
PubChem CID53320444
Molecular FormulaC25H27N3O6
Molecular Weight465.51 g/mol
Exact Mass465.19
IUPAC NameN-[2-hydroxy-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)cc1O
InChIInChI=1S/C25H27N3O6/c29-21-15-24(28-8-12-33-13-9-28)34-25-18(2-1-3-19(21)25)17-4-5-20(22(30)14-17)26-23(31)16-27-6-10-32-11-7-27/h1-5,14-15,30H,6-13,16H2,(H,26,31)
InChIKeyUAFBQETUXPWPCQ-UHFFFAOYSA-N
XLogP2.27
TPSA104.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[2-hydroxy-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide (CID 53320444) is N-[2-hydroxy-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[2-hydroxy-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[2-hydroxy-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)cc1O.
What is the InChIKey of N-[2-hydroxy-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide?
The InChIKey is UAFBQETUXPWPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6/c29-21-15-24(28-8-12-33-13-9-28)34-25-18(2-1-3-19(21)25)17-4-5-20(22(30)14-17)26-23(31)16-27-6-10-32-11-7-27/h1-5,14-15,30H,6-13,16H2,(H,26,31).
What are the key properties of N-[2-hydroxy-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide?
N-[2-hydroxy-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide has a molecular weight of 465.51 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 53320444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).