N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-methoxy-N-methylacetamide

C8H17N3O3 — CID 76910945

IUPACN-(3-amino-3-hydroxyimino-2-methylpropyl)-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)CC(C)C(N)=NO
InChIInChI=1S/C8H17N3O3/c1-6(8(9)10-13)4-11(2)7(12)5-14-3/h6,13H,4-5H2,1-3H3,(H2,9,10)
InChIKeyMQYJRQRDDHGKME-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.53
Rot. Bonds5

About N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-methoxy-N-methylacetamide

N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-methoxy-N-methylacetamide (PubChem CID 76910945) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-methoxy-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-2-methoxy-N-methylacetamide
PubChem CID76910945
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)CC(C)C(N)=NO
InChIInChI=1S/C8H17N3O3/c1-6(8(9)10-13)4-11(2)7(12)5-14-3/h6,13H,4-5H2,1-3H3,(H2,9,10)
InChIKeyMQYJRQRDDHGKME-UHFFFAOYSA-N
XLogP-0.53
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.53
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-hydroxyimino-2-methylpropyl)-2-methoxy-N-methylacetamide?
The IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-methoxy-N-methylacetamide (CID 76910945) is N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-methoxy-N-methylacetamide.
What is the SMILES notation for N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-methoxy-N-methylacetamide?
The canonical SMILES for N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-methoxy-N-methylacetamide is COCC(=O)N(C)CC(C)C(N)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-methoxy-N-methylacetamide?
The InChIKey is MQYJRQRDDHGKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-6(8(9)10-13)4-11(2)7(12)5-14-3/h6,13H,4-5H2,1-3H3,(H2,9,10).
What are the key properties of N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-methoxy-N-methylacetamide?
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-methoxy-N-methylacetamide has a molecular weight of 203.24 g/mol, XLogP of -0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-methoxy-N-methylacetamide is sourced from PubChem (CID 76910945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).