N'-[4-(2,5-dioxoimidazolidin-4-yl)butyl]-N-hydroxyethanimidamide

C9H16N4O3 — CID 18519117

IUPACN'-[4-(2,5-dioxoimidazolidin-4-yl)butyl]-N-hydroxyethanimidamide
SMILESC/C(=N\CCCCC1NC(=O)NC1=O)NO
InChIInChI=1S/C9H16N4O3/c1-6(13-16)10-5-3-2-4-7-8(14)12-9(15)11-7/h7,16H,2-5H2,1H3,(H,10,13)(H2,11,12,14,15)
InChIKeyGARHXLBFJGGRTB-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.24
Rot. Bonds5

About N'-[4-(2,5-dioxoimidazolidin-4-yl)butyl]-N-hydroxyethanimidamide

N'-[4-(2,5-dioxoimidazolidin-4-yl)butyl]-N-hydroxyethanimidamide (PubChem CID 18519117) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is N'-[4-(2,5-dioxoimidazolidin-4-yl)butyl]-N-hydroxyethanimidamide.

Molecular Properties

Compound NameN'-[4-(2,5-dioxoimidazolidin-4-yl)butyl]-N-hydroxyethanimidamide
PubChem CID18519117
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC NameN'-[4-(2,5-dioxoimidazolidin-4-yl)butyl]-N-hydroxyethanimidamide
SMILESC/C(=N\CCCCC1NC(=O)NC1=O)NO
InChIInChI=1S/C9H16N4O3/c1-6(13-16)10-5-3-2-4-7-8(14)12-9(15)11-7/h7,16H,2-5H2,1H3,(H,10,13)(H2,11,12,14,15)
InChIKeyGARHXLBFJGGRTB-UHFFFAOYSA-N
XLogP-0.24
TPSA102.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminoethyl)-3-[(3S)-7-[1-(hydroxyamino)ethylideneamino]-2-oxoheptan-3-yl]urea
CID 59070663
N'-[4-(2,5-dioxoimidazolidin-4-yl)butyl]ethanimidamide
CID 141880476
1-(2-Aminoethyl)-3-[7-[1-(hydroxyamino)ethylideneamino]-2-oxoheptan-3-yl]urea
CID 20593389

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2,5-dioxoimidazolidin-4-yl)butyl]-N-hydroxyethanimidamide?
The IUPAC name of N'-[4-(2,5-dioxoimidazolidin-4-yl)butyl]-N-hydroxyethanimidamide (CID 18519117) is N'-[4-(2,5-dioxoimidazolidin-4-yl)butyl]-N-hydroxyethanimidamide.
What is the SMILES notation for N'-[4-(2,5-dioxoimidazolidin-4-yl)butyl]-N-hydroxyethanimidamide?
The canonical SMILES for N'-[4-(2,5-dioxoimidazolidin-4-yl)butyl]-N-hydroxyethanimidamide is C/C(=N\CCCCC1NC(=O)NC1=O)NO.
What is the InChIKey of N'-[4-(2,5-dioxoimidazolidin-4-yl)butyl]-N-hydroxyethanimidamide?
The InChIKey is GARHXLBFJGGRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-6(13-16)10-5-3-2-4-7-8(14)12-9(15)11-7/h7,16H,2-5H2,1H3,(H,10,13)(H2,11,12,14,15).
What are the key properties of N'-[4-(2,5-dioxoimidazolidin-4-yl)butyl]-N-hydroxyethanimidamide?
N'-[4-(2,5-dioxoimidazolidin-4-yl)butyl]-N-hydroxyethanimidamide has a molecular weight of 228.25 g/mol, XLogP of -0.24, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2,5-dioxoimidazolidin-4-yl)butyl]-N-hydroxyethanimidamide is sourced from PubChem (CID 18519117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).