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

C21H23N3O2 — CID 108968519

IUPACN-(4-cyanophenyl)-2,2-dimethyl-N'-(4-propan-2-ylphenyl)propanediamide
SMILESCC(C)c1ccc(NC(=O)C(C)(C)C(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C21H23N3O2/c1-14(2)16-7-11-18(12-8-16)24-20(26)21(3,4)19(25)23-17-9-5-15(13-22)6-10-17/h5-12,14H,1-4H3,(H,23,25)(H,24,26)
InChIKeyDQEUJWYRRPCRPY-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.29
Rot. Bonds5

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

N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-propan-2-ylphenyl)propanediamide (PubChem CID 108968519) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-propan-2-ylphenyl)propanediamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2,2-dimethyl-N'-(4-propan-2-ylphenyl)propanediamide
PubChem CID108968519
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-(4-cyanophenyl)-2,2-dimethyl-N'-(4-propan-2-ylphenyl)propanediamide
SMILESCC(C)c1ccc(NC(=O)C(C)(C)C(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C21H23N3O2/c1-14(2)16-7-11-18(12-8-16)24-20(26)21(3,4)19(25)23-17-9-5-15(13-22)6-10-17/h5-12,14H,1-4H3,(H,23,25)(H,24,26)
InChIKeyDQEUJWYRRPCRPY-UHFFFAOYSA-N
XLogP4.29
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969023
N-(4-cyanophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969446
N-(4-cyanophenyl)-2,2-dimethylpropanamide
CID 4927441
N-(2-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
CID 108968904
2,2-dimethyl-N-(4-propan-2-ylphenyl)propanamide
CID 3356940
N-(4-cyanophenyl)-2,2-difluoropropanamide
CID 142563454
N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108969922
2-N-(4-cyanophenyl)-6-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109100676
N-(3-chloro-2-methylphenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969063
N-(4-cyanophenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960346
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 4-propan-2-ylbenzoate
CID 7671626
N-(4-cyanophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108970065

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-propan-2-ylphenyl)propanediamide?
The IUPAC name of N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-propan-2-ylphenyl)propanediamide (CID 108968519) is N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-propan-2-ylphenyl)propanediamide.
What is the SMILES notation for N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-propan-2-ylphenyl)propanediamide?
The canonical SMILES for N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-propan-2-ylphenyl)propanediamide is CC(C)c1ccc(NC(=O)C(C)(C)C(=O)Nc2ccc(C#N)cc2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-propan-2-ylphenyl)propanediamide?
The InChIKey is DQEUJWYRRPCRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14(2)16-7-11-18(12-8-16)24-20(26)21(3,4)19(25)23-17-9-5-15(13-22)6-10-17/h5-12,14H,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-propan-2-ylphenyl)propanediamide?
N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-propan-2-ylphenyl)propanediamide has a molecular weight of 349.43 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-propan-2-ylphenyl)propanediamide is sourced from PubChem (CID 108968519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).