N-(3-cyano-4,5-diphenylfuran-2-yl)-2-morpholin-4-ylacetamide

C23H21N3O3 — CID 2235240

IUPACN-(3-cyano-4,5-diphenylfuran-2-yl)-2-morpholin-4-ylacetamide
SMILESN#Cc1c(NC(=O)CN2CCOCC2)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C23H21N3O3/c24-15-19-21(17-7-3-1-4-8-17)22(18-9-5-2-6-10-18)29-23(19)25-20(27)16-26-11-13-28-14-12-26/h1-10H,11-14,16H2,(H,25,27)
InChIKeyCTKWJAQUTWYBLS-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.76
Rot. Bonds5

About N-(3-cyano-4,5-diphenylfuran-2-yl)-2-morpholin-4-ylacetamide

N-(3-cyano-4,5-diphenylfuran-2-yl)-2-morpholin-4-ylacetamide (PubChem CID 2235240) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(3-cyano-4,5-diphenylfuran-2-yl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-diphenylfuran-2-yl)-2-morpholin-4-ylacetamide
PubChem CID2235240
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-(3-cyano-4,5-diphenylfuran-2-yl)-2-morpholin-4-ylacetamide
SMILESN#Cc1c(NC(=O)CN2CCOCC2)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C23H21N3O3/c24-15-19-21(17-7-3-1-4-8-17)22(18-9-5-2-6-10-18)29-23(19)25-20(27)16-26-11-13-28-14-12-26/h1-10H,11-14,16H2,(H,25,27)
InChIKeyCTKWJAQUTWYBLS-UHFFFAOYSA-N
XLogP3.76
TPSA78.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-morpholin-4-ylacetamide (CID 2235240) is N-(3-cyano-4,5-diphenylfuran-2-yl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(3-cyano-4,5-diphenylfuran-2-yl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(3-cyano-4,5-diphenylfuran-2-yl)-2-morpholin-4-ylacetamide is N#Cc1c(NC(=O)CN2CCOCC2)oc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-morpholin-4-ylacetamide?
The InChIKey is CTKWJAQUTWYBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c24-15-19-21(17-7-3-1-4-8-17)22(18-9-5-2-6-10-18)29-23(19)25-20(27)16-26-11-13-28-14-12-26/h1-10H,11-14,16H2,(H,25,27).
What are the key properties of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-morpholin-4-ylacetamide?
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-morpholin-4-ylacetamide has a molecular weight of 387.44 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-diphenylfuran-2-yl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 2235240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).