N-benzyl-2-(2-phenylbut-3-enoxy)ethanimine oxide

C19H21NO2 — CID 14979687

IUPACN-benzyl-2-(2-phenylbut-3-enoxy)ethanimine oxide
SMILESC=CC(COC/C=[N+](\[O-])Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO2/c1-2-18(19-11-7-4-8-12-19)16-22-14-13-20(21)15-17-9-5-3-6-10-17/h2-13,18H,1,14-16H2/b20-13-
InChIKeyLQCRZUQLNXTPJJ-MOSHPQCFSA-N
MW295.38 g/mol
LogP3.75
Rot. Bonds8

About N-benzyl-2-(2-phenylbut-3-enoxy)ethanimine oxide

N-benzyl-2-(2-phenylbut-3-enoxy)ethanimine oxide (PubChem CID 14979687) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-benzyl-2-(2-phenylbut-3-enoxy)ethanimine oxide.

Molecular Properties

Compound NameN-benzyl-2-(2-phenylbut-3-enoxy)ethanimine oxide
PubChem CID14979687
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN-benzyl-2-(2-phenylbut-3-enoxy)ethanimine oxide
SMILESC=CC(COC/C=[N+](\[O-])Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO2/c1-2-18(19-11-7-4-8-12-19)16-22-14-13-20(21)15-17-9-5-3-6-10-17/h2-13,18H,1,14-16H2/b20-13-
InChIKeyLQCRZUQLNXTPJJ-MOSHPQCFSA-N
XLogP3.75
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-(1-phenylmethoxypent-4-en-2-yloxy)ethanimine oxide
CID 14979664
1-nitro-4-(1-phenylmethoxybut-3-en-2-yl)benzene
CID 11623341
[(3R)-3-phenylpent-4-enyl]benzene
CID 134979381
(2S)-N-benzyl-2,3-bis(phenylmethoxy)propan-1-imine oxide
CID 11394741
2-phenylbut-3-en-1-amine;hydrochloride
CID 23037991
N-benzyl-1-[4-[(E)-[benzyl(oxido)azaniumylidene]methyl]phenyl]methanimine oxide
CID 139236481
2-(3-phenylpent-4-enoxy)prop-2-enylbenzene
CID 134879445
(2S,3R,4R,5R)-N-benzyl-2,4,5,6-tetrahydroxy-3-prop-2-enoxyhexan-1-imine oxide
CID 177410144
3-phenylpent-4-enenitrile
CID 14767512
5-phenylhepta-1,6-dien-3-amine
CID 21390037
triphenyl(2-phenylbut-3-enyl)stannane
CID 67812779
(3S)-3-phenylpent-4-enoic acid
CID 92981953

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-phenylbut-3-enoxy)ethanimine oxide?
The IUPAC name of N-benzyl-2-(2-phenylbut-3-enoxy)ethanimine oxide (CID 14979687) is N-benzyl-2-(2-phenylbut-3-enoxy)ethanimine oxide.
What is the SMILES notation for N-benzyl-2-(2-phenylbut-3-enoxy)ethanimine oxide?
The canonical SMILES for N-benzyl-2-(2-phenylbut-3-enoxy)ethanimine oxide is C=CC(COC/C=[N+](\[O-])Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-2-(2-phenylbut-3-enoxy)ethanimine oxide?
The InChIKey is LQCRZUQLNXTPJJ-MOSHPQCFSA-N. The full InChI is InChI=1S/C19H21NO2/c1-2-18(19-11-7-4-8-12-19)16-22-14-13-20(21)15-17-9-5-3-6-10-17/h2-13,18H,1,14-16H2/b20-13-.
What are the key properties of N-benzyl-2-(2-phenylbut-3-enoxy)ethanimine oxide?
N-benzyl-2-(2-phenylbut-3-enoxy)ethanimine oxide has a molecular weight of 295.38 g/mol, XLogP of 3.75, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-phenylbut-3-enoxy)ethanimine oxide is sourced from PubChem (CID 14979687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).