N-(1,3-benzodioxol-5-yl)-N'-(2-morpholin-4-ylphenyl)propanediamide

C20H21N3O5 — CID 108956531

IUPACN-(1,3-benzodioxol-5-yl)-N'-(2-morpholin-4-ylphenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccccc1N1CCOCC1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C20H21N3O5/c24-19(21-14-5-6-17-18(11-14)28-13-27-17)12-20(25)22-15-3-1-2-4-16(15)23-7-9-26-10-8-23/h1-6,11H,7-10,12-13H2,(H,21,24)(H,22,25)
InChIKeyMAXWPTNYIFBVCU-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.22
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-N'-(2-morpholin-4-ylphenyl)propanediamide

N-(1,3-benzodioxol-5-yl)-N'-(2-morpholin-4-ylphenyl)propanediamide (PubChem CID 108956531) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-N'-(2-morpholin-4-ylphenyl)propanediamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-N'-(2-morpholin-4-ylphenyl)propanediamide
PubChem CID108956531
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC NameN-(1,3-benzodioxol-5-yl)-N'-(2-morpholin-4-ylphenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccccc1N1CCOCC1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C20H21N3O5/c24-19(21-14-5-6-17-18(11-14)28-13-27-17)12-20(25)22-15-3-1-2-4-16(15)23-7-9-26-10-8-23/h1-6,11H,7-10,12-13H2,(H,21,24)(H,22,25)
InChIKeyMAXWPTNYIFBVCU-UHFFFAOYSA-N
XLogP2.22
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(3-cyanophenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide
CID 108956537
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108508569
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
N-(1,3-benzodioxol-5-yl)-N'-(2-cyanophenyl)propanediamide
CID 108956697
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
N',N'-diethyl-N-(2-morpholin-4-ylphenyl)propanediamide
CID 108951131
N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2996589
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide
CID 27124664
N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-morpholin-4-ylphenyl)propanediamide
CID 108956543
2-(2-aminophenyl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 28712686
N-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 8892824

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-N'-(2-morpholin-4-ylphenyl)propanediamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-N'-(2-morpholin-4-ylphenyl)propanediamide (CID 108956531) is N-(1,3-benzodioxol-5-yl)-N'-(2-morpholin-4-ylphenyl)propanediamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-N'-(2-morpholin-4-ylphenyl)propanediamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-N'-(2-morpholin-4-ylphenyl)propanediamide is O=C(CC(=O)Nc1ccccc1N1CCOCC1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-N'-(2-morpholin-4-ylphenyl)propanediamide?
The InChIKey is MAXWPTNYIFBVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c24-19(21-14-5-6-17-18(11-14)28-13-27-17)12-20(25)22-15-3-1-2-4-16(15)23-7-9-26-10-8-23/h1-6,11H,7-10,12-13H2,(H,21,24)(H,22,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-N'-(2-morpholin-4-ylphenyl)propanediamide?
N-(1,3-benzodioxol-5-yl)-N'-(2-morpholin-4-ylphenyl)propanediamide has a molecular weight of 383.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-N'-(2-morpholin-4-ylphenyl)propanediamide is sourced from PubChem (CID 108956531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).