3-amino-N-ethyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide

C8H17N3O3 — CID 76926838

IUPAC3-amino-N-ethyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide
SMILESCCN(CCO)C(=O)C(C)C(N)=NO
InChIInChI=1S/C8H17N3O3/c1-3-11(4-5-12)8(13)6(2)7(9)10-14/h6,12,14H,3-5H2,1-2H3,(H2,9,10)
InChIKeyLOVZBUJEZWDWQU-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.79
Rot. Bonds5

About 3-amino-N-ethyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide

3-amino-N-ethyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide (PubChem CID 76926838) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide
PubChem CID76926838
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name3-amino-N-ethyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide
SMILESCCN(CCO)C(=O)C(C)C(N)=NO
InChIInChI=1S/C8H17N3O3/c1-3-11(4-5-12)8(13)6(2)7(9)10-14/h6,12,14H,3-5H2,1-2H3,(H2,9,10)
InChIKeyLOVZBUJEZWDWQU-UHFFFAOYSA-N
XLogP-0.79
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide?
The IUPAC name of 3-amino-N-ethyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide (CID 76926838) is 3-amino-N-ethyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-ethyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide?
The canonical SMILES for 3-amino-N-ethyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide is CCN(CCO)C(=O)C(C)C(N)=NO.
What is the InChIKey of 3-amino-N-ethyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide?
The InChIKey is LOVZBUJEZWDWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-3-11(4-5-12)8(13)6(2)7(9)10-14/h6,12,14H,3-5H2,1-2H3,(H2,9,10).
What are the key properties of 3-amino-N-ethyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide?
3-amino-N-ethyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide has a molecular weight of 203.24 g/mol, XLogP of -0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide is sourced from PubChem (CID 76926838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).