N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxyacetamide

C8H17N3O3 — CID 76910477

IUPACN-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxyacetamide
SMILESCCN(CCC(N)=NO)C(=O)COC
InChIInChI=1S/C8H17N3O3/c1-3-11(8(12)6-14-2)5-4-7(9)10-13/h13H,3-6H2,1-2H3,(H2,9,10)
InChIKeyCJDSOUKSPKOGRV-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.38
Rot. Bonds6

About N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxyacetamide

N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxyacetamide (PubChem CID 76910477) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxyacetamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxyacetamide
PubChem CID76910477
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxyacetamide
SMILESCCN(CCC(N)=NO)C(=O)COC
InChIInChI=1S/C8H17N3O3/c1-3-11(8(12)6-14-2)5-4-7(9)10-13/h13H,3-6H2,1-2H3,(H2,9,10)
InChIKeyCJDSOUKSPKOGRV-UHFFFAOYSA-N
XLogP-0.38
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
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 N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxyacetamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxyacetamide (CID 76910477) is N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxyacetamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxyacetamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxyacetamide is CCN(CCC(N)=NO)C(=O)COC.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxyacetamide?
The InChIKey is CJDSOUKSPKOGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-3-11(8(12)6-14-2)5-4-7(9)10-13/h13H,3-6H2,1-2H3,(H2,9,10).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxyacetamide?
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxyacetamide has a molecular weight of 203.24 g/mol, XLogP of -0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxyacetamide is sourced from PubChem (CID 76910477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).