N-(3-cyanophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide

C19H19N3O3 — CID 108969395

IUPACN-(3-cyanophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide
SMILESCOc1cccc(NC(=O)C(C)(C)C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C19H19N3O3/c1-19(2,17(23)21-14-7-4-6-13(10-14)12-20)18(24)22-15-8-5-9-16(11-15)25-3/h4-11H,1-3H3,(H,21,23)(H,22,24)
InChIKeyYVGSYGIZJSHMLW-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.17
Rot. Bonds5

About N-(3-cyanophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide

N-(3-cyanophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide (PubChem CID 108969395) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(3-cyanophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide
PubChem CID108969395
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(3-cyanophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide
SMILESCOc1cccc(NC(=O)C(C)(C)C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C19H19N3O3/c1-19(2,17(23)21-14-7-4-6-13(10-14)12-20)18(24)22-15-8-5-9-16(11-15)25-3/h4-11H,1-3H3,(H,21,23)(H,22,24)
InChIKeyYVGSYGIZJSHMLW-UHFFFAOYSA-N
XLogP3.17
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(3-cyanophenyl)-2,2-dimethylpropanediamide
CID 108970159
3-(3-cyanoanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82820785
1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057633
N-(3-cyanophenyl)-3-methoxybenzamide
CID 2707607
3-cyano-N-(3-methoxyphenyl)benzamide
CID 2709744
N-(3-fluorophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969376
N-(3-cyanophenyl)-N'-(2,6-diethylphenyl)-2,2-dimethylpropanediamide
CID 108968587
(2R)-2-(3-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 7964267
N-(4-cyanophenyl)-N'-(3-methoxyphenyl)oxamide
CID 108519400
N-(3-cyanophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide
CID 108965790
N-(4-cyanophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969446
N-butan-2-yl-N'-(3-cyanophenyl)-2,2-dimethylpropanediamide
CID 108958336

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(3-cyanophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide (CID 108969395) is N-(3-cyanophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(3-cyanophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(3-cyanophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide is COc1cccc(NC(=O)C(C)(C)C(=O)Nc2cccc(C#N)c2)c1.
What is the InChIKey of N-(3-cyanophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide?
The InChIKey is YVGSYGIZJSHMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-19(2,17(23)21-14-7-4-6-13(10-14)12-20)18(24)22-15-8-5-9-16(11-15)25-3/h4-11H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(3-cyanophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide?
N-(3-cyanophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide has a molecular weight of 337.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108969395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).