N-ethyl-3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide

C18H27N3O2 — CID 108944667

IUPACN-ethyl-3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide
SMILESCCN1CCN(C(=O)CC(=O)N(CC)c2cccc(C)c2)CC1
InChIInChI=1S/C18H27N3O2/c1-4-19-9-11-20(12-10-19)17(22)14-18(23)21(5-2)16-8-6-7-15(3)13-16/h6-8,13H,4-5,9-12,14H2,1-3H3
InChIKeyLYDPUECENJAZBD-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.90
Rot. Bonds5

About N-ethyl-3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide

N-ethyl-3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide (PubChem CID 108944667) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-ethyl-3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide.

Molecular Properties

Compound NameN-ethyl-3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide
PubChem CID108944667
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-ethyl-3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide
SMILESCCN1CCN(C(=O)CC(=O)N(CC)c2cccc(C)c2)CC1
InChIInChI=1S/C18H27N3O2/c1-4-19-9-11-20(12-10-19)17(22)14-18(23)21(5-2)16-8-6-7-15(3)13-16/h6-8,13H,4-5,9-12,14H2,1-3H3
InChIKeyLYDPUECENJAZBD-UHFFFAOYSA-N
XLogP1.90
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,4-diethyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 108988562
N-ethyl-3-(2-ethylpiperidin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide
CID 108952293
N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109084517
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-ethyl-3-oxo-N-phenylpropanamide
CID 108950576
N-cyclopropyl-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108941153
N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944137
N'-ethyl-N'-(3-methylphenyl)-N-propylpropanediamide
CID 108940770
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
N-ethyl-N-(3-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507557
ethyl 4-(N-ethyl-3-methylanilino)-4-oxobutanoate
CID 60737731
1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone
CID 4636229
2-(3,5-dimethylpiperidin-1-yl)-N-ethyl-N-(3-methylphenyl)-2-oxoacetamide
CID 108520654

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide?
The IUPAC name of N-ethyl-3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide (CID 108944667) is N-ethyl-3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide.
What is the SMILES notation for N-ethyl-3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide?
The canonical SMILES for N-ethyl-3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide is CCN1CCN(C(=O)CC(=O)N(CC)c2cccc(C)c2)CC1.
What is the InChIKey of N-ethyl-3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide?
The InChIKey is LYDPUECENJAZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-4-19-9-11-20(12-10-19)17(22)14-18(23)21(5-2)16-8-6-7-15(3)13-16/h6-8,13H,4-5,9-12,14H2,1-3H3.
What are the key properties of N-ethyl-3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide?
N-ethyl-3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide has a molecular weight of 317.43 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide is sourced from PubChem (CID 108944667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).