N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-morpholin-4-ylphenyl)oxamide

C20H21N3O5 — CID 108508569

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N'-(2-morpholin-4-ylphenyl)oxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C20H21N3O5/c24-19(21-12-14-5-6-17-18(11-14)28-13-27-17)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)
InChIKeyQAHJGAAKHPIVJC-UHFFFAOYSA-N
MW383.40 g/mol
LogP1.51
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-morpholin-4-ylphenyl)oxamide

N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-morpholin-4-ylphenyl)oxamide (PubChem CID 108508569) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-morpholin-4-ylphenyl)oxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N'-(2-morpholin-4-ylphenyl)oxamide
PubChem CID108508569
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N'-(2-morpholin-4-ylphenyl)oxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C20H21N3O5/c24-19(21-12-14-5-6-17-18(11-14)28-13-27-17)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)
InChIKeyQAHJGAAKHPIVJC-UHFFFAOYSA-N
XLogP1.51
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108507752
N-(1,3-benzodioxol-5-yl)-N'-(2-morpholin-4-ylphenyl)propanediamide
CID 108956531
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-chloro-3-pyridinyl)oxamide
CID 44999738
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108508618
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108985031
N'-(1,3-benzodioxol-5-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]oxamide
CID 5305801
N-[2-(azepan-1-yl)phenyl]-2-(1,3-benzodioxol-5-ylmethylamino)acetamide;oxalic acid
CID 171668708
N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2996589
N-[3-(dimethylamino)propyl]-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108524772
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-chloro-2-fluorophenyl)oxamide
CID 44999501
5-(1,3-benzodioxol-5-ylmethylamino)-2-morpholin-4-ylbenzoic acid
CID 667343
N-(1,3-benzodioxol-5-ylmethyl)-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108508570

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-morpholin-4-ylphenyl)oxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-morpholin-4-ylphenyl)oxamide (CID 108508569) is N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-morpholin-4-ylphenyl)oxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-morpholin-4-ylphenyl)oxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-morpholin-4-ylphenyl)oxamide is O=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-morpholin-4-ylphenyl)oxamide?
The InChIKey is QAHJGAAKHPIVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c24-19(21-12-14-5-6-17-18(11-14)28-13-27-17)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-ylmethyl)-N'-(2-morpholin-4-ylphenyl)oxamide?
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-morpholin-4-ylphenyl)oxamide has a molecular weight of 383.40 g/mol, XLogP of 1.51, 4 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-ylmethyl)-N'-(2-morpholin-4-ylphenyl)oxamide is sourced from PubChem (CID 108508569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).