N-[2-(dimethylamino)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide

C12H24N4O3 — CID 108522874

IUPACN-[2-(dimethylamino)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide
SMILESCN(C)CCNC(=O)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C12H24N4O3/c1-14(2)4-3-13-11(18)12(19)16-7-5-15(6-8-16)9-10-17/h17H,3-10H2,1-2H3,(H,13,18)
InChIKeyAUOFBOZZDXSBDY-UHFFFAOYSA-N
MW272.35 g/mol
LogP-2.20
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide

N-[2-(dimethylamino)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 108522874) has the molecular formula C12H24N4O3 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID108522874
Molecular FormulaC12H24N4O3
Molecular Weight272.35 g/mol
Exact Mass272.18
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide
SMILESCN(C)CCNC(=O)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C12H24N4O3/c1-14(2)4-3-13-11(18)12(19)16-7-5-15(6-8-16)9-10-17/h17H,3-10H2,1-2H3,(H,13,18)
InChIKeyAUOFBOZZDXSBDY-UHFFFAOYSA-N
XLogP-2.20
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 5-2.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-[2-(dimethylamino)ethyl]-2-oxoacetamide
CID 108508416
ethyl 4-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]piperazine-1-carboxylate
CID 108529556
N-[2-(dimethylamino)ethyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105782
N-[2-(dimethylamino)ethyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523021
2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide
CID 108512226
N-[3-(dimethylamino)propyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108520549
1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 4739629
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 108508178
4-(2-hydroxyethyl)-N,N-dimethyl-1,4-diazepane-1-carboxamide
CID 78942634
N-(4-tert-butylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide
CID 108522878
N-ethyl-N-(2-hydroxyethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide
CID 108522829
2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(oxolan-2-ylmethyl)acetamide
CID 108507583

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide (CID 108522874) is N-[2-(dimethylamino)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide is CN(C)CCNC(=O)C(=O)N1CCN(CCO)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is AUOFBOZZDXSBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3/c1-14(2)4-3-13-11(18)12(19)16-7-5-15(6-8-16)9-10-17/h17H,3-10H2,1-2H3,(H,13,18).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide?
N-[2-(dimethylamino)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 272.35 g/mol, XLogP of -2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 108522874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).