N',N'-diethyl-N-(2-morpholin-4-ylphenyl)propanediamide

C17H25N3O3 — CID 108951131

IUPACN',N'-diethyl-N-(2-morpholin-4-ylphenyl)propanediamide
SMILESCCN(CC)C(=O)CC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C17H25N3O3/c1-3-19(4-2)17(22)13-16(21)18-14-7-5-6-8-15(14)20-9-11-23-12-10-20/h5-8H,3-4,9-13H2,1-2H3,(H,18,21)
InChIKeyWUOSZGRKPOJILY-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.72
Rot. Bonds6

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

N',N'-diethyl-N-(2-morpholin-4-ylphenyl)propanediamide (PubChem CID 108951131) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N',N'-diethyl-N-(2-morpholin-4-ylphenyl)propanediamide.

Molecular Properties

Compound NameN',N'-diethyl-N-(2-morpholin-4-ylphenyl)propanediamide
PubChem CID108951131
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN',N'-diethyl-N-(2-morpholin-4-ylphenyl)propanediamide
SMILESCCN(CC)C(=O)CC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C17H25N3O3/c1-3-19(4-2)17(22)13-16(21)18-14-7-5-6-8-15(14)20-9-11-23-12-10-20/h5-8H,3-4,9-13H2,1-2H3,(H,18,21)
InChIKeyWUOSZGRKPOJILY-UHFFFAOYSA-N
XLogP1.72
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylphenyl)propanediamide
CID 108947398
N',N'-diethyl-N-(2-morpholin-4-ylphenyl)oxamide
CID 108526068
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
2-[acetyl(propyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113158058
2-[acetyl(pentyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113166804
N'-methyl-N-(2-morpholin-4-ylphenyl)-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948987
3-(ethylamino)-N-(2-morpholin-4-ylphenyl)butanamide
CID 62839891
N-(2-morpholin-4-ylphenyl)-2-pyrrol-1-ylacetamide
CID 110688626
2-ethyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 110756603
3-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide
CID 108956535
2-[acetyl(butan-2-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113159164

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(2-morpholin-4-ylphenyl)propanediamide?
The IUPAC name of N',N'-diethyl-N-(2-morpholin-4-ylphenyl)propanediamide (CID 108951131) is N',N'-diethyl-N-(2-morpholin-4-ylphenyl)propanediamide.
What is the SMILES notation for N',N'-diethyl-N-(2-morpholin-4-ylphenyl)propanediamide?
The canonical SMILES for N',N'-diethyl-N-(2-morpholin-4-ylphenyl)propanediamide is CCN(CC)C(=O)CC(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of N',N'-diethyl-N-(2-morpholin-4-ylphenyl)propanediamide?
The InChIKey is WUOSZGRKPOJILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-3-19(4-2)17(22)13-16(21)18-14-7-5-6-8-15(14)20-9-11-23-12-10-20/h5-8H,3-4,9-13H2,1-2H3,(H,18,21).
What are the key properties of N',N'-diethyl-N-(2-morpholin-4-ylphenyl)propanediamide?
N',N'-diethyl-N-(2-morpholin-4-ylphenyl)propanediamide has a molecular weight of 319.41 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(2-morpholin-4-ylphenyl)propanediamide is sourced from PubChem (CID 108951131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).