N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanediamide

C18H27N3O3 — CID 108944137

IUPACN'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanediamide
SMILESCCN(C(=O)CC(=O)NCCN1CCOCC1)c1cccc(C)c1
InChIInChI=1S/C18H27N3O3/c1-3-21(16-6-4-5-15(2)13-16)18(23)14-17(22)19-7-8-20-9-11-24-12-10-20/h4-6,13H,3,7-12,14H2,1-2H3,(H,19,22)
InChIKeyYZFGFLPUIKTDQL-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.19
Rot. Bonds7

About N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanediamide

N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanediamide (PubChem CID 108944137) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanediamide.

Molecular Properties

Compound NameN'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanediamide
PubChem CID108944137
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanediamide
SMILESCCN(C(=O)CC(=O)NCCN1CCOCC1)c1cccc(C)c1
InChIInChI=1S/C18H27N3O3/c1-3-21(16-6-4-5-15(2)13-16)18(23)14-17(22)19-7-8-20-9-11-24-12-10-20/h4-6,13H,3,7-12,14H2,1-2H3,(H,19,22)
InChIKeyYZFGFLPUIKTDQL-UHFFFAOYSA-N
XLogP1.19
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.19
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'-ethyl-N-(2-morpholin-4-ylethyl)-N'-phenylpropanediamide
CID 108944050
2-(3-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 6493657
N-ethyl-2-methyl-N-(3-methylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109366440
2-(N-ethyl-3-methylanilino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109168022
2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)acetamide
CID 6494051
2-(N-acetyl-3-chloroanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 113171303
2-[(3-methylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 110285240
3-(N-acetyl-3-chloroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113127193
N-ethyl-3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide
CID 108944667
3-[3-methyl-N-(2-morpholin-4-ylethyl)anilino]propanoic acid
CID 82320048
N-(3,4-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108953668
N-cyclopentyl-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108942305

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanediamide?
The IUPAC name of N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanediamide (CID 108944137) is N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanediamide.
What is the SMILES notation for N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanediamide?
The canonical SMILES for N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanediamide is CCN(C(=O)CC(=O)NCCN1CCOCC1)c1cccc(C)c1.
What is the InChIKey of N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanediamide?
The InChIKey is YZFGFLPUIKTDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-3-21(16-6-4-5-15(2)13-16)18(23)14-17(22)19-7-8-20-9-11-24-12-10-20/h4-6,13H,3,7-12,14H2,1-2H3,(H,19,22).
What are the key properties of N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanediamide?
N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanediamide has a molecular weight of 333.43 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanediamide is sourced from PubChem (CID 108944137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).