3-amino-3-hydroxyimino-N,N-bis(2-methoxyethyl)propanamide

C9H19N3O4 — CID 55136561

IUPAC3-amino-3-hydroxyimino-N,N-bis(2-methoxyethyl)propanamide
SMILESCOCCN(CCOC)C(=O)CC(N)=NO
InChIInChI=1S/C9H19N3O4/c1-15-5-3-12(4-6-16-2)9(13)7-8(10)11-14/h14H,3-7H2,1-2H3,(H2,10,11)
InChIKeyFCZQCOXQMZDLHY-UHFFFAOYSA-N
MW233.27 g/mol
LogP-0.76
Rot. Bonds8

About 3-amino-3-hydroxyimino-N,N-bis(2-methoxyethyl)propanamide

3-amino-3-hydroxyimino-N,N-bis(2-methoxyethyl)propanamide (PubChem CID 55136561) has the molecular formula C9H19N3O4 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-N,N-bis(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-N,N-bis(2-methoxyethyl)propanamide
PubChem CID55136561
Molecular FormulaC9H19N3O4
Molecular Weight233.27 g/mol
Exact Mass233.14
IUPAC Name3-amino-3-hydroxyimino-N,N-bis(2-methoxyethyl)propanamide
SMILESCOCCN(CCOC)C(=O)CC(N)=NO
InChIInChI=1S/C9H19N3O4/c1-15-5-3-12(4-6-16-2)9(13)7-8(10)11-14/h14H,3-7H2,1-2H3,(H2,10,11)
InChIKeyFCZQCOXQMZDLHY-UHFFFAOYSA-N
XLogP-0.76
TPSA97.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
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-3-hydroxyimino-N,N-bis(2-methoxyethyl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-N,N-bis(2-methoxyethyl)propanamide (CID 55136561) is 3-amino-3-hydroxyimino-N,N-bis(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-N,N-bis(2-methoxyethyl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-N,N-bis(2-methoxyethyl)propanamide is COCCN(CCOC)C(=O)CC(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-N,N-bis(2-methoxyethyl)propanamide?
The InChIKey is FCZQCOXQMZDLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O4/c1-15-5-3-12(4-6-16-2)9(13)7-8(10)11-14/h14H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of 3-amino-3-hydroxyimino-N,N-bis(2-methoxyethyl)propanamide?
3-amino-3-hydroxyimino-N,N-bis(2-methoxyethyl)propanamide has a molecular weight of 233.27 g/mol, XLogP of -0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-N,N-bis(2-methoxyethyl)propanamide is sourced from PubChem (CID 55136561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).