3-amino-N-ethyl-3-hydroxyimino-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide

C10H20N4O3 — CID 76910074

IUPAC3-amino-N-ethyl-3-hydroxyimino-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
SMILESCCN(CC(=O)NC(C)C)C(=O)CC(N)=NO
InChIInChI=1S/C10H20N4O3/c1-4-14(6-9(15)12-7(2)3)10(16)5-8(11)13-17/h7,17H,4-6H2,1-3H3,(H2,11,13)(H,12,15)
InChIKeyQXUGIWMDHNVAHY-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.50
Rot. Bonds6

About 3-amino-N-ethyl-3-hydroxyimino-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide

3-amino-N-ethyl-3-hydroxyimino-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide (PubChem CID 76910074) has the molecular formula C10H20N4O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-amino-N-ethyl-3-hydroxyimino-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-ethyl-3-hydroxyimino-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
PubChem CID76910074
Molecular FormulaC10H20N4O3
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC Name3-amino-N-ethyl-3-hydroxyimino-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
SMILESCCN(CC(=O)NC(C)C)C(=O)CC(N)=NO
InChIInChI=1S/C10H20N4O3/c1-4-14(6-9(15)12-7(2)3)10(16)5-8(11)13-17/h7,17H,4-6H2,1-3H3,(H2,11,13)(H,12,15)
InChIKeyQXUGIWMDHNVAHY-UHFFFAOYSA-N
XLogP-0.50
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.50
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-3-hydroxyimino-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
The IUPAC name of 3-amino-N-ethyl-3-hydroxyimino-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide (CID 76910074) is 3-amino-N-ethyl-3-hydroxyimino-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide.
What is the SMILES notation for 3-amino-N-ethyl-3-hydroxyimino-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
The canonical SMILES for 3-amino-N-ethyl-3-hydroxyimino-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide is CCN(CC(=O)NC(C)C)C(=O)CC(N)=NO.
What is the InChIKey of 3-amino-N-ethyl-3-hydroxyimino-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
The InChIKey is QXUGIWMDHNVAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3/c1-4-14(6-9(15)12-7(2)3)10(16)5-8(11)13-17/h7,17H,4-6H2,1-3H3,(H2,11,13)(H,12,15).
What are the key properties of 3-amino-N-ethyl-3-hydroxyimino-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
3-amino-N-ethyl-3-hydroxyimino-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide has a molecular weight of 244.29 g/mol, XLogP of -0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-3-hydroxyimino-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide is sourced from PubChem (CID 76910074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).