N-(3,4-dimethylphenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide

C21H25N3O3 — CID 108953647

IUPACN-(3,4-dimethylphenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide
SMILESCc1ccc(NC(=O)CC(=O)Nc2ccccc2N2CCOCC2)cc1C
InChIInChI=1S/C21H25N3O3/c1-15-7-8-17(13-16(15)2)22-20(25)14-21(26)23-18-5-3-4-6-19(18)24-9-11-27-12-10-24/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyABGYUBRWQYROAJ-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.11
Rot. Bonds5

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

N-(3,4-dimethylphenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide (PubChem CID 108953647) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide
PubChem CID108953647
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-(3,4-dimethylphenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide
SMILESCc1ccc(NC(=O)CC(=O)Nc2ccccc2N2CCOCC2)cc1C
InChIInChI=1S/C21H25N3O3/c1-15-7-8-17(13-16(15)2)22-20(25)14-21(26)23-18-5-3-4-6-19(18)24-9-11-27-12-10-24/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyABGYUBRWQYROAJ-UHFFFAOYSA-N
XLogP3.11
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-yl)-N'-(2-morpholin-4-ylphenyl)propanediamide
CID 108956531
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
N-(3-cyanophenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide
CID 108956537
N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-morpholin-4-ylphenyl)propanediamide
CID 108956543
N-(3,4-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide
CID 113111700
2-(3-methylbutylamino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109005860
N-(2-morpholin-4-ylphenyl)-3-(2,4,6-trimethylanilino)propanamide
CID 109037056
2-(2,6-dimethylanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109007545
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
2-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 3229652
4-(2,5-dimethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
CID 17459754
2-[(2-methylphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 108996603

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide (CID 108953647) is N-(3,4-dimethylphenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide is Cc1ccc(NC(=O)CC(=O)Nc2ccccc2N2CCOCC2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide?
The InChIKey is ABGYUBRWQYROAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15-7-8-17(13-16(15)2)22-20(25)14-21(26)23-18-5-3-4-6-19(18)24-9-11-27-12-10-24/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-(3,4-dimethylphenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide?
N-(3,4-dimethylphenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide has a molecular weight of 367.45 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide is sourced from PubChem (CID 108953647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).