N-benzyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanimine oxide

C14H20N2O3 — CID 11097426

IUPACN-benzyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanimine oxide
SMILESCC(C)(C)OC(=O)NC/C=[N+](\[O-])Cc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)19-13(17)15-9-10-16(18)11-12-7-5-4-6-8-12/h4-8,10H,9,11H2,1-3H3,(H,15,17)/b16-10-
InChIKeyITEOGXULVKJUGM-YBEGLDIGSA-N
MW264.32 g/mol
LogP2.29
Rot. Bonds4

About N-benzyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanimine oxide

N-benzyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanimine oxide (PubChem CID 11097426) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-benzyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanimine oxide.

Molecular Properties

Compound NameN-benzyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanimine oxide
PubChem CID11097426
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-benzyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanimine oxide
SMILESCC(C)(C)OC(=O)NC/C=[N+](\[O-])Cc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)19-13(17)15-9-10-16(18)11-12-7-5-4-6-8-12/h4-8,10H,9,11H2,1-3H3,(H,15,17)/b16-10-
InChIKeyITEOGXULVKJUGM-YBEGLDIGSA-N
XLogP2.29
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanimine oxide?
The IUPAC name of N-benzyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanimine oxide (CID 11097426) is N-benzyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanimine oxide.
What is the SMILES notation for N-benzyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanimine oxide?
The canonical SMILES for N-benzyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanimine oxide is CC(C)(C)OC(=O)NC/C=[N+](\[O-])Cc1ccccc1.
What is the InChIKey of N-benzyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanimine oxide?
The InChIKey is ITEOGXULVKJUGM-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,3)19-13(17)15-9-10-16(18)11-12-7-5-4-6-8-12/h4-8,10H,9,11H2,1-3H3,(H,15,17)/b16-10-.
What are the key properties of N-benzyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanimine oxide?
N-benzyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanimine oxide has a molecular weight of 264.32 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanimine oxide is sourced from PubChem (CID 11097426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).