N-[3-(4,5-dicyano-2-morpholin-4-ylphenoxy)phenyl]acetamide

C20H18N4O3 — CID 1087089

IUPACN-[3-(4,5-dicyano-2-morpholin-4-ylphenoxy)phenyl]acetamide
SMILESCC(=O)Nc1cccc(Oc2cc(C#N)c(C#N)cc2N2CCOCC2)c1
InChIInChI=1S/C20H18N4O3/c1-14(25)23-17-3-2-4-18(11-17)27-20-10-16(13-22)15(12-21)9-19(20)24-5-7-26-8-6-24/h2-4,9-11H,5-8H2,1H3,(H,23,25)
InChIKeyHIUUBSLLUKNSTG-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.02
Rot. Bonds4

About N-[3-(4,5-dicyano-2-morpholin-4-ylphenoxy)phenyl]acetamide

N-[3-(4,5-dicyano-2-morpholin-4-ylphenoxy)phenyl]acetamide (PubChem CID 1087089) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[3-(4,5-dicyano-2-morpholin-4-ylphenoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(4,5-dicyano-2-morpholin-4-ylphenoxy)phenyl]acetamide
PubChem CID1087089
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-[3-(4,5-dicyano-2-morpholin-4-ylphenoxy)phenyl]acetamide
SMILESCC(=O)Nc1cccc(Oc2cc(C#N)c(C#N)cc2N2CCOCC2)c1
InChIInChI=1S/C20H18N4O3/c1-14(25)23-17-3-2-4-18(11-17)27-20-10-16(13-22)15(12-21)9-19(20)24-5-7-26-8-6-24/h2-4,9-11H,5-8H2,1H3,(H,23,25)
InChIKeyHIUUBSLLUKNSTG-UHFFFAOYSA-N
XLogP3.02
TPSA98.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dicyano-2-morpholin-4-ylphenoxy)phenyl]acetamide?
The IUPAC name of N-[3-(4,5-dicyano-2-morpholin-4-ylphenoxy)phenyl]acetamide (CID 1087089) is N-[3-(4,5-dicyano-2-morpholin-4-ylphenoxy)phenyl]acetamide.
What is the SMILES notation for N-[3-(4,5-dicyano-2-morpholin-4-ylphenoxy)phenyl]acetamide?
The canonical SMILES for N-[3-(4,5-dicyano-2-morpholin-4-ylphenoxy)phenyl]acetamide is CC(=O)Nc1cccc(Oc2cc(C#N)c(C#N)cc2N2CCOCC2)c1.
What is the InChIKey of N-[3-(4,5-dicyano-2-morpholin-4-ylphenoxy)phenyl]acetamide?
The InChIKey is HIUUBSLLUKNSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-14(25)23-17-3-2-4-18(11-17)27-20-10-16(13-22)15(12-21)9-19(20)24-5-7-26-8-6-24/h2-4,9-11H,5-8H2,1H3,(H,23,25).
What are the key properties of N-[3-(4,5-dicyano-2-morpholin-4-ylphenoxy)phenyl]acetamide?
N-[3-(4,5-dicyano-2-morpholin-4-ylphenoxy)phenyl]acetamide has a molecular weight of 362.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-dicyano-2-morpholin-4-ylphenoxy)phenyl]acetamide is sourced from PubChem (CID 1087089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).