N-(cyanomethyl)-N'-(3-methoxyphenyl)oxamide

C11H11N3O3 — CID 43315934

IUPACN-(cyanomethyl)-N'-(3-methoxyphenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)NCC#N)c1
InChIInChI=1S/C11H11N3O3/c1-17-9-4-2-3-8(7-9)14-11(16)10(15)13-6-5-12/h2-4,7H,6H2,1H3,(H,13,15)(H,14,16)
InChIKeyNESHIYJPIGUSKL-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.27
Rot. Bonds3

About N-(cyanomethyl)-N'-(3-methoxyphenyl)oxamide

N-(cyanomethyl)-N'-(3-methoxyphenyl)oxamide (PubChem CID 43315934) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is N-(cyanomethyl)-N'-(3-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N'-(3-methoxyphenyl)oxamide
PubChem CID43315934
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC NameN-(cyanomethyl)-N'-(3-methoxyphenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)NCC#N)c1
InChIInChI=1S/C11H11N3O3/c1-17-9-4-2-3-8(7-9)14-11(16)10(15)13-6-5-12/h2-4,7H,6H2,1H3,(H,13,15)(H,14,16)
InChIKeyNESHIYJPIGUSKL-UHFFFAOYSA-N
XLogP0.27
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-butan-2-yloxyphenyl)-N-(cyanomethyl)oxamide
CID 62328417
N-(4-cyanophenyl)-N'-(3-methoxyphenyl)oxamide
CID 108519400
N-(3-hydroxypropyl)-N'-(3-methoxyphenyl)oxamide
CID 2247264
2-[[2-(3-methoxyanilino)-2-oxoacetyl]amino]ethyl-dimethylazanium
CID 2268249
1-cyano-3-(3-methoxyphenyl)urea
CID 22351200
N-(5-hydroxypentyl)-N'-(3-methoxyphenyl)oxamide
CID 108519583
N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide
CID 108519610
N-(3,3-diethoxypropyl)-N'-(3-methoxyphenyl)oxamide
CID 172894059
N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide
CID 44999403
N-(cyanomethyl)-N'-pyridin-3-yloxamide
CID 43315640
N'-(4-chloro-3-methoxyphenyl)-N-(cyanomethyl)oxamide
CID 107621880
N'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methoxyphenyl)oxamide
CID 44999402

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N'-(3-methoxyphenyl)oxamide?
The IUPAC name of N-(cyanomethyl)-N'-(3-methoxyphenyl)oxamide (CID 43315934) is N-(cyanomethyl)-N'-(3-methoxyphenyl)oxamide.
What is the SMILES notation for N-(cyanomethyl)-N'-(3-methoxyphenyl)oxamide?
The canonical SMILES for N-(cyanomethyl)-N'-(3-methoxyphenyl)oxamide is COc1cccc(NC(=O)C(=O)NCC#N)c1.
What is the InChIKey of N-(cyanomethyl)-N'-(3-methoxyphenyl)oxamide?
The InChIKey is NESHIYJPIGUSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-17-9-4-2-3-8(7-9)14-11(16)10(15)13-6-5-12/h2-4,7H,6H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-(cyanomethyl)-N'-(3-methoxyphenyl)oxamide?
N-(cyanomethyl)-N'-(3-methoxyphenyl)oxamide has a molecular weight of 233.23 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N'-(3-methoxyphenyl)oxamide is sourced from PubChem (CID 43315934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).