3-amino-N,N-bis(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide

C8H17N3O4 — CID 76924803

IUPAC3-amino-N,N-bis(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide
SMILESCC(C(=O)N(CCO)CCO)C(N)=NO
InChIInChI=1S/C8H17N3O4/c1-6(7(9)10-15)8(14)11(2-4-12)3-5-13/h6,12-13,15H,2-5H2,1H3,(H2,9,10)
InChIKeyLJPHIDINYPLFFU-UHFFFAOYSA-N
MW219.24 g/mol
LogP-1.82
Rot. Bonds6

About 3-amino-N,N-bis(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide

3-amino-N,N-bis(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide (PubChem CID 76924803) has the molecular formula C8H17N3O4 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-amino-N,N-bis(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N,N-bis(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide
PubChem CID76924803
Molecular FormulaC8H17N3O4
Molecular Weight219.24 g/mol
Exact Mass219.12
IUPAC Name3-amino-N,N-bis(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide
SMILESCC(C(=O)N(CCO)CCO)C(N)=NO
InChIInChI=1S/C8H17N3O4/c1-6(7(9)10-15)8(14)11(2-4-12)3-5-13/h6,12-13,15H,2-5H2,1H3,(H2,9,10)
InChIKeyLJPHIDINYPLFFU-UHFFFAOYSA-N
XLogP-1.82
TPSA119.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-1.82
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-bis(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide?
The IUPAC name of 3-amino-N,N-bis(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide (CID 76924803) is 3-amino-N,N-bis(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide.
What is the SMILES notation for 3-amino-N,N-bis(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide?
The canonical SMILES for 3-amino-N,N-bis(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide is CC(C(=O)N(CCO)CCO)C(N)=NO.
What is the InChIKey of 3-amino-N,N-bis(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide?
The InChIKey is LJPHIDINYPLFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O4/c1-6(7(9)10-15)8(14)11(2-4-12)3-5-13/h6,12-13,15H,2-5H2,1H3,(H2,9,10).
What are the key properties of 3-amino-N,N-bis(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide?
3-amino-N,N-bis(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide has a molecular weight of 219.24 g/mol, XLogP of -1.82, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-bis(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide is sourced from PubChem (CID 76924803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).