2-ethyl-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]butanimidamide

C13H26N4O3 — CID 76920521

IUPAC2-ethyl-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]butanimidamide
SMILESCCC(CC)(C(=O)N1CCN(CCO)CC1)C(N)=NO
InChIInChI=1S/C13H26N4O3/c1-3-13(4-2,11(14)15-20)12(19)17-7-5-16(6-8-17)9-10-18/h18,20H,3-10H2,1-2H3,(H2,14,15)
InChIKeyPHLMZXITVDXNLA-UHFFFAOYSA-N
MW286.38 g/mol
LogP-0.32
Rot. Bonds6

About 2-ethyl-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]butanimidamide

2-ethyl-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]butanimidamide (PubChem CID 76920521) has the molecular formula C13H26N4O3 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-ethyl-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]butanimidamide.

Molecular Properties

Compound Name2-ethyl-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]butanimidamide
PubChem CID76920521
Molecular FormulaC13H26N4O3
Molecular Weight286.38 g/mol
Exact Mass286.20
IUPAC Name2-ethyl-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]butanimidamide
SMILESCCC(CC)(C(=O)N1CCN(CCO)CC1)C(N)=NO
InChIInChI=1S/C13H26N4O3/c1-3-13(4-2,11(14)15-20)12(19)17-7-5-16(6-8-17)9-10-18/h18,20H,3-10H2,1-2H3,(H2,14,15)
InChIKeyPHLMZXITVDXNLA-UHFFFAOYSA-N
XLogP-0.32
TPSA102.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-ethyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one
CID 79810112
N'-hydroxy-4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylbutanimidamide
CID 77062967
2-(2,2-dimethylthiomorpholine-4-carbonyl)-2-ethyl-N'-hydroxybutanimidamide
CID 104874860
2-amino-3,3,3-trifluoro-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 107218232
2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76920790
1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 4739629
2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
CID 77012817
N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanimidamide
CID 77032995
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 106326721
2-(3,4-dimethylpiperazine-1-carbonyl)-N'-hydroxy-2-propylpentanimidamide
CID 77000518
2-ethyl-2-[4-(2-methylpropyl)piperazine-1-carbonyl]butanethioamide
CID 62775517
ethyl 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetate
CID 60894850

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]butanimidamide?
The IUPAC name of 2-ethyl-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]butanimidamide (CID 76920521) is 2-ethyl-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]butanimidamide.
What is the SMILES notation for 2-ethyl-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]butanimidamide?
The canonical SMILES for 2-ethyl-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]butanimidamide is CCC(CC)(C(=O)N1CCN(CCO)CC1)C(N)=NO.
What is the InChIKey of 2-ethyl-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]butanimidamide?
The InChIKey is PHLMZXITVDXNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3/c1-3-13(4-2,11(14)15-20)12(19)17-7-5-16(6-8-17)9-10-18/h18,20H,3-10H2,1-2H3,(H2,14,15).
What are the key properties of 2-ethyl-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]butanimidamide?
2-ethyl-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]butanimidamide has a molecular weight of 286.38 g/mol, XLogP of -0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]butanimidamide is sourced from PubChem (CID 76920521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).