N'-(4-cyanophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide

C18H17N3O3 — CID 108507411

IUPACN'-(4-cyanophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H17N3O3/c1-24-16-8-4-13(5-9-16)10-11-20-17(22)18(23)21-15-6-2-14(12-19)3-7-15/h2-9H,10-11H2,1H3,(H,20,22)(H,21,23)
InChIKeySKJADMVATBIERX-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.86
Rot. Bonds5

About N'-(4-cyanophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide

N'-(4-cyanophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide (PubChem CID 108507411) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N'-(4-cyanophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(4-cyanophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
PubChem CID108507411
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN'-(4-cyanophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H17N3O3/c1-24-16-8-4-13(5-9-16)10-11-20-17(22)18(23)21-15-6-2-14(12-19)3-7-15/h2-9H,10-11H2,1H3,(H,20,22)(H,21,23)
InChIKeySKJADMVATBIERX-UHFFFAOYSA-N
XLogP1.86
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.86
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

4-[[6-(2,4-Dimethylphenoxy)-4-methyl-3-oxo-pyrazin-2-yl]amino]benzonitrile
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2-[(2-anilino-2-oxoethyl)sulfanyl]-N-(4-methoxybenzyl)acetamide
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(4-Methoxy-phenyl)-phenylamino-acetonitrile
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N-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-2-oxo-1-imidazolyl]acetamide
CID 9551446
N-[4-(2-Hydrazinylethyl)phenyl]-4-(4-methoxyphenyl)butanamide sulfate salt (12h)
CID 77014314
N-(4-Cyanophenyl)-2-((2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)amino) acetamide (34d)
CID 86766184
N-(4-Cyanophenyl)-2-((2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl) amino)acetamide (35d)
CID 86766191
N-benzyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 863795
N-(4-methoxyphenyl)-2-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]acetamide
CID 1094956
N-(4-methoxyphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
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N-[2-(4-fluorophenyl)ethyl]-N'-(3-methoxyphenyl)oxamide
CID 3691945

Frequently Asked Questions

What is the IUPAC name of N'-(4-cyanophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N'-(4-cyanophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide (CID 108507411) is N'-(4-cyanophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(4-cyanophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-(4-cyanophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide is COc1ccc(CCNC(=O)C(=O)Nc2ccc(C#N)cc2)cc1.
What is the InChIKey of N'-(4-cyanophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The InChIKey is SKJADMVATBIERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-24-16-8-4-13(5-9-16)10-11-20-17(22)18(23)21-15-6-2-14(12-19)3-7-15/h2-9H,10-11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-(4-cyanophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
N'-(4-cyanophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide has a molecular weight of 323.35 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyanophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 108507411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).