N-(3-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide

C18H24N4O3 — CID 108960490

IUPACN-(3-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide
SMILESCC(C)(C(=O)NCCN1CCOCC1)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C18H24N4O3/c1-18(2,16(23)20-6-7-22-8-10-25-11-9-22)17(24)21-15-5-3-4-14(12-15)13-19/h3-5,12H,6-11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyPAEYGNBMDNNJOY-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.97
Rot. Bonds6

About N-(3-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide

N-(3-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide (PubChem CID 108960490) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide
PubChem CID108960490
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-(3-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide
SMILESCC(C)(C(=O)NCCN1CCOCC1)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C18H24N4O3/c1-18(2,16(23)20-6-7-22-8-10-25-11-9-22)17(24)21-15-5-3-4-14(12-15)13-19/h3-5,12H,6-11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyPAEYGNBMDNNJOY-UHFFFAOYSA-N
XLogP0.97
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-morpholin-4-ylethylamino)benzonitrile
CID 28581021
N,N'-bis(3-cyanophenyl)-2,2-dimethylpropanediamide
CID 108970159
N-(2,3-dichlorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide
CID 108960486
N-(3-cyanophenyl)-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964248
N-(3-cyanophenyl)-N'-(2,6-diethylphenyl)-2,2-dimethylpropanediamide
CID 108968587
N-(2-fluorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide
CID 108960434
N-[2-(3-chlorophenyl)ethyl]-N'-(3-cyanophenyl)-2,2-dimethylpropanediamide
CID 108966987
6-(3-cyanoanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115775
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108960459
3-(3-cyanoanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82820785
N-butan-2-yl-N'-(3-cyanophenyl)-2,2-dimethylpropanediamide
CID 108958336
2-(3-cyano-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 113157278

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide?
The IUPAC name of N-(3-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide (CID 108960490) is N-(3-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide.
What is the SMILES notation for N-(3-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide?
The canonical SMILES for N-(3-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide is CC(C)(C(=O)NCCN1CCOCC1)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide?
The InChIKey is PAEYGNBMDNNJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-18(2,16(23)20-6-7-22-8-10-25-11-9-22)17(24)21-15-5-3-4-14(12-15)13-19/h3-5,12H,6-11H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-(3-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide?
N-(3-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide has a molecular weight of 344.42 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide is sourced from PubChem (CID 108960490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).