(3Z)-3-amino-3-hydroxyimino-N-(2-methoxyethyl)-N-(3-methoxypropyl)propanamide

C10H21N3O4 — CID 55207456

IUPAC(3Z)-3-amino-3-hydroxyimino-N-(2-methoxyethyl)-N-(3-methoxypropyl)propanamide
SMILESCOCCCN(CCOC)C(=O)C/C(N)=N/O
InChIInChI=1S/C10H21N3O4/c1-16-6-3-4-13(5-7-17-2)10(14)8-9(11)12-15/h15H,3-8H2,1-2H3,(H2,11,12)
InChIKeyQFOGWRFBBKYFAX-UHFFFAOYSA-N
MW247.29 g/mol
LogP-0.37
Rot. Bonds9

About (3Z)-3-amino-3-hydroxyimino-N-(2-methoxyethyl)-N-(3-methoxypropyl)propanamide

(3Z)-3-amino-3-hydroxyimino-N-(2-methoxyethyl)-N-(3-methoxypropyl)propanamide (PubChem CID 55207456) has the molecular formula C10H21N3O4 and a molecular weight of 247.29 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-N-(2-methoxyethyl)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-N-(2-methoxyethyl)-N-(3-methoxypropyl)propanamide
PubChem CID55207456
Molecular FormulaC10H21N3O4
Molecular Weight247.29 g/mol
Exact Mass247.15
IUPAC Name(3Z)-3-amino-3-hydroxyimino-N-(2-methoxyethyl)-N-(3-methoxypropyl)propanamide
SMILESCOCCCN(CCOC)C(=O)C/C(N)=N/O
InChIInChI=1S/C10H21N3O4/c1-16-6-3-4-13(5-7-17-2)10(14)8-9(11)12-15/h15H,3-8H2,1-2H3,(H2,11,12)
InChIKeyQFOGWRFBBKYFAX-UHFFFAOYSA-N
XLogP-0.37
TPSA97.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (3Z)-3-amino-3-hydroxyimino-N-(2-methoxyethyl)-N-(3-methoxypropyl)propanamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-(2-methoxyethyl)-N-(3-methoxypropyl)propanamide (CID 55207456) is (3Z)-3-amino-3-hydroxyimino-N-(2-methoxyethyl)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-N-(2-methoxyethyl)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-N-(2-methoxyethyl)-N-(3-methoxypropyl)propanamide is COCCCN(CCOC)C(=O)C/C(N)=N/O.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-N-(2-methoxyethyl)-N-(3-methoxypropyl)propanamide?
The InChIKey is QFOGWRFBBKYFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4/c1-16-6-3-4-13(5-7-17-2)10(14)8-9(11)12-15/h15H,3-8H2,1-2H3,(H2,11,12).
What are the key properties of (3Z)-3-amino-3-hydroxyimino-N-(2-methoxyethyl)-N-(3-methoxypropyl)propanamide?
(3Z)-3-amino-3-hydroxyimino-N-(2-methoxyethyl)-N-(3-methoxypropyl)propanamide has a molecular weight of 247.29 g/mol, XLogP of -0.37, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-3-hydroxyimino-N-(2-methoxyethyl)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 55207456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).