N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylphenyl)propanediamide

C22H27N3O3 — CID 108947398

IUPACN'-benzyl-N'-ethyl-N-(2-morpholin-4-ylphenyl)propanediamide
SMILESCCN(Cc1ccccc1)C(=O)CC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C22H27N3O3/c1-2-24(17-18-8-4-3-5-9-18)22(27)16-21(26)23-19-10-6-7-11-20(19)25-12-14-28-15-13-25/h3-11H,2,12-17H2,1H3,(H,23,26)
InChIKeyOOEAVKKSJFDBFU-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.90
Rot. Bonds7

About N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylphenyl)propanediamide

N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylphenyl)propanediamide (PubChem CID 108947398) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylphenyl)propanediamide.

Molecular Properties

Compound NameN'-benzyl-N'-ethyl-N-(2-morpholin-4-ylphenyl)propanediamide
PubChem CID108947398
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN'-benzyl-N'-ethyl-N-(2-morpholin-4-ylphenyl)propanediamide
SMILESCCN(Cc1ccccc1)C(=O)CC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C22H27N3O3/c1-2-24(17-18-8-4-3-5-9-18)22(27)16-21(26)23-19-10-6-7-11-20(19)25-12-14-28-15-13-25/h3-11H,2,12-17H2,1H3,(H,23,26)
InChIKeyOOEAVKKSJFDBFU-UHFFFAOYSA-N
XLogP2.90
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.90
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',N'-diethyl-N-(2-morpholin-4-ylphenyl)propanediamide
CID 108951131
N',N'-diethyl-N-(2-morpholin-4-ylphenyl)oxamide
CID 108526068
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
3,3-dimethyl-5-(2-morpholin-4-ylanilino)-5-oxopentanoic acid
CID 2813229
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
N'-benzyl-N'-ethyl-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108947396
2-[acetyl(propyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113158058
N'-methyl-N-(2-morpholin-4-ylphenyl)-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948987
2-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetic acid
CID 2813228
(3S)-N-(2-morpholin-4-ylphenyl)-3-phenylbutanamide
CID 8005269
2-[acetyl(pentyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113166804
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylphenyl)propanediamide?
The IUPAC name of N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylphenyl)propanediamide (CID 108947398) is N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylphenyl)propanediamide.
What is the SMILES notation for N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylphenyl)propanediamide?
The canonical SMILES for N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylphenyl)propanediamide is CCN(Cc1ccccc1)C(=O)CC(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylphenyl)propanediamide?
The InChIKey is OOEAVKKSJFDBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-2-24(17-18-8-4-3-5-9-18)22(27)16-21(26)23-19-10-6-7-11-20(19)25-12-14-28-15-13-25/h3-11H,2,12-17H2,1H3,(H,23,26).
What are the key properties of N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylphenyl)propanediamide?
N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylphenyl)propanediamide has a molecular weight of 381.48 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylphenyl)propanediamide is sourced from PubChem (CID 108947398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).