N-(4-cyanophenyl)-N'-(3-methoxyphenyl)oxamide

C16H13N3O3 — CID 108519400

IUPACN-(4-cyanophenyl)-N'-(3-methoxyphenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C16H13N3O3/c1-22-14-4-2-3-13(9-14)19-16(21)15(20)18-12-7-5-11(10-17)6-8-12/h2-9H,1H3,(H,18,20)(H,19,21)
InChIKeyBWSMAZPXLPPTMZ-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.14
Rot. Bonds3

About N-(4-cyanophenyl)-N'-(3-methoxyphenyl)oxamide

N-(4-cyanophenyl)-N'-(3-methoxyphenyl)oxamide (PubChem CID 108519400) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N'-(3-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N'-(3-methoxyphenyl)oxamide
PubChem CID108519400
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC NameN-(4-cyanophenyl)-N'-(3-methoxyphenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C16H13N3O3/c1-22-14-4-2-3-13(9-14)19-16(21)15(20)18-12-7-5-11(10-17)6-8-12/h2-9H,1H3,(H,18,20)(H,19,21)
InChIKeyBWSMAZPXLPPTMZ-UHFFFAOYSA-N
XLogP2.14
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyanophenyl)-2-(3-methoxyanilino)acetamide
CID 39381074
N-(cyanomethyl)-N'-(3-methoxyphenyl)oxamide
CID 43315934
2-N-(4-cyanophenyl)-4-N-(3-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109093044
N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide
CID 44999403
2-(4-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 51140373
3-cyano-N-(3-methoxyphenyl)benzamide
CID 2709744
1-cyano-3-(3-methoxyphenyl)urea
CID 22351200
N-(4-cyanophenyl)-N'-(3-methylsulfanylphenyl)oxamide
CID 108519404
N-(3-cyanophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969395
1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057633
N-(3-cyanophenyl)-3-methoxybenzamide
CID 2707607
N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide
CID 108519610

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N'-(3-methoxyphenyl)oxamide?
The IUPAC name of N-(4-cyanophenyl)-N'-(3-methoxyphenyl)oxamide (CID 108519400) is N-(4-cyanophenyl)-N'-(3-methoxyphenyl)oxamide.
What is the SMILES notation for N-(4-cyanophenyl)-N'-(3-methoxyphenyl)oxamide?
The canonical SMILES for N-(4-cyanophenyl)-N'-(3-methoxyphenyl)oxamide is COc1cccc(NC(=O)C(=O)Nc2ccc(C#N)cc2)c1.
What is the InChIKey of N-(4-cyanophenyl)-N'-(3-methoxyphenyl)oxamide?
The InChIKey is BWSMAZPXLPPTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-22-14-4-2-3-13(9-14)19-16(21)15(20)18-12-7-5-11(10-17)6-8-12/h2-9H,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(4-cyanophenyl)-N'-(3-methoxyphenyl)oxamide?
N-(4-cyanophenyl)-N'-(3-methoxyphenyl)oxamide has a molecular weight of 295.30 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N'-(3-methoxyphenyl)oxamide is sourced from PubChem (CID 108519400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).