N-(3-cyanophenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide

C20H20N4O3 — CID 108956537

IUPACN-(3-cyanophenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide
SMILESN#Cc1cccc(NC(=O)CC(=O)Nc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C20H20N4O3/c21-14-15-4-3-5-16(12-15)22-19(25)13-20(26)23-17-6-1-2-7-18(17)24-8-10-27-11-9-24/h1-7,12H,8-11,13H2,(H,22,25)(H,23,26)
InChIKeyRYBFWGOPDKYWQH-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.36
Rot. Bonds5

About N-(3-cyanophenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide

N-(3-cyanophenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide (PubChem CID 108956537) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-(3-cyanophenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide
PubChem CID108956537
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-(3-cyanophenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide
SMILESN#Cc1cccc(NC(=O)CC(=O)Nc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C20H20N4O3/c21-14-15-4-3-5-16(12-15)22-19(25)13-20(26)23-17-6-1-2-7-18(17)24-8-10-27-11-9-24/h1-7,12H,8-11,13H2,(H,22,25)(H,23,26)
InChIKeyRYBFWGOPDKYWQH-UHFFFAOYSA-N
XLogP2.36
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.36
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-(3,4-dimethylphenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide
CID 108953647
N-(1,3-benzodioxol-5-yl)-N'-(2-morpholin-4-ylphenyl)propanediamide
CID 108956531
2-(4-cyanophenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 16552240
4-(3-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109222404
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
N-(3-methoxyphenyl)-2-[methyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
CID 4965762
N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-morpholin-4-ylphenyl)propanediamide
CID 108956543
N-(3-cyanophenyl)-N'-(2,3-dimethylphenyl)propanediamide
CID 108953919
N-(4-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)propanediamide
CID 108969937
N-(2-morpholin-4-ylphenyl)-2-pyrrol-1-ylacetamide
CID 110688626
2-(3-methoxyanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109009056

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide?
The IUPAC name of N-(3-cyanophenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide (CID 108956537) is N-(3-cyanophenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide.
What is the SMILES notation for N-(3-cyanophenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide?
The canonical SMILES for N-(3-cyanophenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide is N#Cc1cccc(NC(=O)CC(=O)Nc2ccccc2N2CCOCC2)c1.
What is the InChIKey of N-(3-cyanophenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide?
The InChIKey is RYBFWGOPDKYWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c21-14-15-4-3-5-16(12-15)22-19(25)13-20(26)23-17-6-1-2-7-18(17)24-8-10-27-11-9-24/h1-7,12H,8-11,13H2,(H,22,25)(H,23,26).
What are the key properties of N-(3-cyanophenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide?
N-(3-cyanophenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide has a molecular weight of 364.41 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide is sourced from PubChem (CID 108956537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).