5-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxamide

C18H16N4O5 — CID 41070274

IUPAC5-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxamide
SMILESCOc1cc(C#N)ccc1OCC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1
InChIInChI=1S/C18H16N4O5/c1-26-15-4-10(8-19)2-3-14(15)27-9-16(23)22-13-6-11(17(20)24)5-12(7-13)18(21)25/h2-7H,9H2,1H3,(H2,20,24)(H2,21,25)(H,22,23)
InChIKeyJIOHOQJEXKMSJB-UHFFFAOYSA-N
MW368.35 g/mol
LogP0.78
Rot. Bonds7

About 5-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxamide

5-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxamide (PubChem CID 41070274) has the molecular formula C18H16N4O5 and a molecular weight of 368.35 g/mol. Its IUPAC name is 5-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxamide
PubChem CID41070274
Molecular FormulaC18H16N4O5
Molecular Weight368.35 g/mol
Exact Mass368.11
IUPAC Name5-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxamide
SMILESCOc1cc(C#N)ccc1OCC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1
InChIInChI=1S/C18H16N4O5/c1-26-15-4-10(8-19)2-3-14(15)27-9-16(23)22-13-6-11(17(20)24)5-12(7-13)18(21)25/h2-7H,9H2,1H3,(H2,20,24)(H2,21,25)(H,22,23)
InChIKeyJIOHOQJEXKMSJB-UHFFFAOYSA-N
XLogP0.78
TPSA157.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 2492394
2-(4-cyano-2-methoxyphenoxy)-N-(4-ethylphenyl)acetamide
CID 2492527
2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylamino)phenyl]acetamide
CID 55309601
2-(4-cyano-2-methoxyphenoxy)-N-[3-[(dimethylamino)methyl]phenyl]acetamide
CID 86932038
2-[4-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpropanoic acid
CID 119253821
2-(4-cyano-2-methoxyphenoxy)-N-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 2976145
2-(4-cyano-2-methoxyphenoxy)-N-(2-fluorophenyl)acetamide
CID 2492568
2-(4-cyano-2-methoxyphenoxy)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 16511665
2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 2492497
[2-(3-cyanoanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854141
2-(4-cyano-2-methoxyphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 7757339
2-(4-cyano-2-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 2559188

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxamide?
The IUPAC name of 5-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxamide (CID 41070274) is 5-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxamide?
The canonical SMILES for 5-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxamide is COc1cc(C#N)ccc1OCC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1.
What is the InChIKey of 5-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxamide?
The InChIKey is JIOHOQJEXKMSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O5/c1-26-15-4-10(8-19)2-3-14(15)27-9-16(23)22-13-6-11(17(20)24)5-12(7-13)18(21)25/h2-7H,9H2,1H3,(H2,20,24)(H2,21,25)(H,22,23).
What are the key properties of 5-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxamide?
5-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxamide has a molecular weight of 368.35 g/mol, XLogP of 0.78, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxamide is sourced from PubChem (CID 41070274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).