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

C22H24N4O3 — CID 108969937

IUPACN-(4-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)propanediamide
SMILESCC(C)(C(=O)Nc1ccc(C#N)cc1)C(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C22H24N4O3/c1-22(2,20(27)24-17-9-7-16(15-23)8-10-17)21(28)25-18-5-3-4-6-19(18)26-11-13-29-14-12-26/h3-10H,11-14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyVHKYQMIOQXXABE-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.00
Rot. Bonds5

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

N-(4-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)propanediamide (PubChem CID 108969937) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)propanediamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)propanediamide
PubChem CID108969937
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(4-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)propanediamide
SMILESCC(C)(C(=O)Nc1ccc(C#N)cc1)C(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C22H24N4O3/c1-22(2,20(27)24-17-9-7-16(15-23)8-10-17)21(28)25-18-5-3-4-6-19(18)26-11-13-29-14-12-26/h3-10H,11-14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyVHKYQMIOQXXABE-UHFFFAOYSA-N
XLogP3.00
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108969922
2-(4-cyanophenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 16552240
N-ethyl-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)-N-phenylpropanediamide
CID 108968361
N-(4-cyanophenyl)-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108969688
N-(4-cyanophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide
CID 17494196
6-(4-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 109164747
N-(3-cyanophenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide
CID 108956537
2,2-dimethyl-N-(2-morpholin-4-ylphenyl)-N'-(oxolan-2-ylmethyl)propanediamide
CID 108960131
N-(2-cyanophenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide
CID 108969928
2,2,3,3-tetrafluoro-N-(2-morpholin-4-ylphenyl)propanamide
CID 103731890
2,2-dimethyl-3-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide
CID 108966794
N-(3-chloro-2-methylphenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969063

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)propanediamide?
The IUPAC name of N-(4-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)propanediamide (CID 108969937) is N-(4-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)propanediamide.
What is the SMILES notation for N-(4-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)propanediamide?
The canonical SMILES for N-(4-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)propanediamide is CC(C)(C(=O)Nc1ccc(C#N)cc1)C(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of N-(4-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)propanediamide?
The InChIKey is VHKYQMIOQXXABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-22(2,20(27)24-17-9-7-16(15-23)8-10-17)21(28)25-18-5-3-4-6-19(18)26-11-13-29-14-12-26/h3-10H,11-14H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-(4-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)propanediamide?
N-(4-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)propanediamide has a molecular weight of 392.46 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)propanediamide is sourced from PubChem (CID 108969937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).