N-(benzylideneamino)-4-prop-2-enoxybenzamide

C17H16N2O2 — CID 4925725

IUPACN-(benzylideneamino)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NN=Cc2ccccc2)cc1
InChIInChI=1S/C17H16N2O2/c1-2-12-21-16-10-8-15(9-11-16)17(20)19-18-13-14-6-4-3-5-7-14/h2-11,13H,1,12H2,(H,19,20)
InChIKeyCWFLZYGZLBIUPD-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.02
Rot. Bonds6

About N-(benzylideneamino)-4-prop-2-enoxybenzamide

N-(benzylideneamino)-4-prop-2-enoxybenzamide (PubChem CID 4925725) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(benzylideneamino)-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-(benzylideneamino)-4-prop-2-enoxybenzamide
PubChem CID4925725
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-(benzylideneamino)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NN=Cc2ccccc2)cc1
InChIInChI=1S/C17H16N2O2/c1-2-12-21-16-10-8-15(9-11-16)17(20)19-18-13-14-6-4-3-5-7-14/h2-11,13H,1,12H2,(H,19,20)
InChIKeyCWFLZYGZLBIUPD-UHFFFAOYSA-N
XLogP3.02
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-prop-2-enoxy-N-[[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 4926312
[4-[(Z)-[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6115360
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 135588976
4-prop-2-enoxy-N-(pyridin-4-ylmethylideneamino)benzamide
CID 3342882
4-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6006510
N-[(4-bromophenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 4925636
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
N-[(2-methyl-3-phenylprop-2-enylidene)amino]-4-prop-2-enoxybenzamide
CID 75610197
N-[(E)-benzylideneamino]-4-[4-[[(E)-benzylideneamino]carbamoyl]phenoxy]benzamide
CID 44621271
N-(2-phenylethylideneamino)-4-prop-2-enoxybenzamide
CID 4925727
4-fluoro-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 9016622
N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-prop-2-enoxybenzamide
CID 45054949

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-4-prop-2-enoxybenzamide?
The IUPAC name of N-(benzylideneamino)-4-prop-2-enoxybenzamide (CID 4925725) is N-(benzylideneamino)-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-(benzylideneamino)-4-prop-2-enoxybenzamide?
The canonical SMILES for N-(benzylideneamino)-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NN=Cc2ccccc2)cc1.
What is the InChIKey of N-(benzylideneamino)-4-prop-2-enoxybenzamide?
The InChIKey is CWFLZYGZLBIUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-2-12-21-16-10-8-15(9-11-16)17(20)19-18-13-14-6-4-3-5-7-14/h2-11,13H,1,12H2,(H,19,20).
What are the key properties of N-(benzylideneamino)-4-prop-2-enoxybenzamide?
N-(benzylideneamino)-4-prop-2-enoxybenzamide has a molecular weight of 280.33 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-4-prop-2-enoxybenzamide is sourced from PubChem (CID 4925725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).