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

C16H21N3O3 — CID 108959798

IUPACN-(2-cyanophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
SMILESCOCCCNC(=O)C(C)(C)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H21N3O3/c1-16(2,14(20)18-9-6-10-22-3)15(21)19-13-8-5-4-7-12(13)11-17/h4-5,7-8H,6,9-10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyOPJOBNWHBUYJRU-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.68
Rot. Bonds7

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

N-(2-cyanophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide (PubChem CID 108959798) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(2-cyanophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
PubChem CID108959798
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-(2-cyanophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
SMILESCOCCCNC(=O)C(C)(C)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H21N3O3/c1-16(2,14(20)18-9-6-10-22-3)15(21)19-13-8-5-4-7-12(13)11-17/h4-5,7-8H,6,9-10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyOPJOBNWHBUYJRU-UHFFFAOYSA-N
XLogP1.68
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108970151
N-(2-cyanophenyl)-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962648
2-N-(2-cyanophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082631
N-(4-acetylphenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108959753
N-(2,4-dichlorophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108959789
2-(2-cyanoanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251843
N-(4-tert-butylphenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108968687
N-(3-acetamidophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108959754
N-(2-cyanophenyl)-N'-(3,4-dimethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969671
N-(2-cyanophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide
CID 62985534
N-(2-cyanophenyl)-2-hydroxy-2-methylbutanamide
CID 155930374
N-(2-cyanophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967421

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(2-cyanophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide (CID 108959798) is N-(2-cyanophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(2-cyanophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(2-cyanophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide is COCCCNC(=O)C(C)(C)C(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide?
The InChIKey is OPJOBNWHBUYJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-16(2,14(20)18-9-6-10-22-3)15(21)19-13-8-5-4-7-12(13)11-17/h4-5,7-8H,6,9-10H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-(2-cyanophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide?
N-(2-cyanophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide has a molecular weight of 303.36 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108959798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).