N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide

C22H24N4O2 — CID 108969922

IUPACN-(4-cyanophenyl)-2,2-dimethyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
SMILESCC(C)(C(=O)Nc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C22H24N4O2/c1-22(2,20(27)24-17-7-5-16(15-23)6-8-17)21(28)25-18-9-11-19(12-10-18)26-13-3-4-14-26/h5-12H,3-4,13-14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyNYCGVRWUCJSTEY-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.76
Rot. Bonds5

About N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide

N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide (PubChem CID 108969922) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2,2-dimethyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
PubChem CID108969922
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(4-cyanophenyl)-2,2-dimethyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
SMILESCC(C)(C(=O)Nc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C22H24N4O2/c1-22(2,20(27)24-17-7-5-16(15-23)6-8-17)21(28)25-18-9-11-19(12-10-18)26-13-3-4-14-26/h5-12H,3-4,13-14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyNYCGVRWUCJSTEY-UHFFFAOYSA-N
XLogP3.76
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-(4-methylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108967489
N-(2-cyanophenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide
CID 108969928
N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)acetamide
CID 37221907
3-amino-2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-3-sulfanylidenepropanamide
CID 63180115
N-(4-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969023
2-methyl-2-(methylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 62847063
1-(4-cyanophenyl)-3-[(4-pyrrolidin-1-ylphenyl)methyl]urea
CID 38275681
N-(4-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)propanediamide
CID 108969937
N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-propan-2-ylphenyl)propanediamide
CID 108968519
N-(4-cyanophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969446
2-(4-cyanoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109010682
N-(4-cyanophenyl)-2,2-dimethylpropanamide
CID 4927441

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide?
The IUPAC name of N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide (CID 108969922) is N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide.
What is the SMILES notation for N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide?
The canonical SMILES for N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide is CC(C)(C(=O)Nc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide?
The InChIKey is NYCGVRWUCJSTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-22(2,20(27)24-17-7-5-16(15-23)6-8-17)21(28)25-18-9-11-19(12-10-18)26-13-3-4-14-26/h5-12H,3-4,13-14H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide?
N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide has a molecular weight of 376.46 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide is sourced from PubChem (CID 108969922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).