N'-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)oxamide;hydrate

C11H24N4O4 — CID 2959170

IUPACN'-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)oxamide;hydrate
SMILESCOCCNC(=O)C(=O)NCCN1CCNCC1.O
InChIInChI=1S/C11H22N4O3.H2O/c1-18-9-5-14-11(17)10(16)13-4-8-15-6-2-12-3-7-15;/h12H,2-9H2,1H3,(H,13,16)(H,14,17);1H2
InChIKeyBZRYYUHOVAOUQC-UHFFFAOYSA-N
MW276.34 g/mol
LogP-3.05
Rot. Bonds6

About N'-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)oxamide;hydrate

N'-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)oxamide;hydrate (PubChem CID 2959170) has the molecular formula C11H24N4O4 and a molecular weight of 276.34 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)oxamide;hydrate.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)oxamide;hydrate
PubChem CID2959170
Molecular FormulaC11H24N4O4
Molecular Weight276.34 g/mol
Exact Mass276.18
IUPAC NameN'-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)oxamide;hydrate
SMILESCOCCNC(=O)C(=O)NCCN1CCNCC1.O
InChIInChI=1S/C11H22N4O3.H2O/c1-18-9-5-14-11(17)10(16)13-4-8-15-6-2-12-3-7-15;/h12H,2-9H2,1H3,(H,13,16)(H,14,17);1H2
InChIKeyBZRYYUHOVAOUQC-UHFFFAOYSA-N
XLogP-3.05
TPSA114.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 5-3.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)oxamide;hydrate?
The IUPAC name of N'-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)oxamide;hydrate (CID 2959170) is N'-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)oxamide;hydrate.
What is the SMILES notation for N'-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)oxamide;hydrate?
The canonical SMILES for N'-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)oxamide;hydrate is COCCNC(=O)C(=O)NCCN1CCNCC1.O.
What is the InChIKey of N'-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)oxamide;hydrate?
The InChIKey is BZRYYUHOVAOUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3.H2O/c1-18-9-5-14-11(17)10(16)13-4-8-15-6-2-12-3-7-15;/h12H,2-9H2,1H3,(H,13,16)(H,14,17);1H2.
What are the key properties of N'-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)oxamide;hydrate?
N'-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)oxamide;hydrate has a molecular weight of 276.34 g/mol, XLogP of -3.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)oxamide;hydrate is sourced from PubChem (CID 2959170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).