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

C18H18N2O2 — CID 4925727

IUPACN-(2-phenylethylideneamino)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NN=CCc2ccccc2)cc1
InChIInChI=1S/C18H18N2O2/c1-2-14-22-17-10-8-16(9-11-17)18(21)20-19-13-12-15-6-4-3-5-7-15/h2-11,13H,1,12,14H2,(H,20,21)
InChIKeyIGLJRMVSZRFMAG-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.21
Rot. Bonds7

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

N-(2-phenylethylideneamino)-4-prop-2-enoxybenzamide (PubChem CID 4925727) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(2-phenylethylideneamino)-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-(2-phenylethylideneamino)-4-prop-2-enoxybenzamide
PubChem CID4925727
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-(2-phenylethylideneamino)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NN=CCc2ccccc2)cc1
InChIInChI=1S/C18H18N2O2/c1-2-14-22-17-10-8-16(9-11-17)18(21)20-19-13-12-15-6-4-3-5-7-15/h2-11,13H,1,12,14H2,(H,20,21)
InChIKeyIGLJRMVSZRFMAG-UHFFFAOYSA-N
XLogP3.21
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.21
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

N-(benzylideneamino)-4-prop-2-enoxybenzamide
CID 4925725
4-prop-2-enoxy-N-[[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 4926312
N-[(2-methyl-3-phenylprop-2-enylidene)amino]-4-prop-2-enoxybenzamide
CID 75610197
N-[(E)-1-phenylethylideneamino]-4-prop-2-enoxybenzamide
CID 6232405
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 135588976
N-[2-(4-chlorophenyl)ethylideneamino]benzamide
CID 123356691
N-[(2-methyl-1-phenylpropylidene)amino]-4-prop-2-enoxybenzamide
CID 4982210
[4-[(Z)-[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6115360
4-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6006510
4-methoxy-N-[(E)-2-phenylmethoxyethylideneamino]benzamide
CID 135151082
4-prop-2-enoxy-N-(pyridin-4-ylmethylideneamino)benzamide
CID 3342882
N-[(4-bromophenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 4925636

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethylideneamino)-4-prop-2-enoxybenzamide?
The IUPAC name of N-(2-phenylethylideneamino)-4-prop-2-enoxybenzamide (CID 4925727) is N-(2-phenylethylideneamino)-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-(2-phenylethylideneamino)-4-prop-2-enoxybenzamide?
The canonical SMILES for N-(2-phenylethylideneamino)-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NN=CCc2ccccc2)cc1.
What is the InChIKey of N-(2-phenylethylideneamino)-4-prop-2-enoxybenzamide?
The InChIKey is IGLJRMVSZRFMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-2-14-22-17-10-8-16(9-11-17)18(21)20-19-13-12-15-6-4-3-5-7-15/h2-11,13H,1,12,14H2,(H,20,21).
What are the key properties of N-(2-phenylethylideneamino)-4-prop-2-enoxybenzamide?
N-(2-phenylethylideneamino)-4-prop-2-enoxybenzamide has a molecular weight of 294.35 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethylideneamino)-4-prop-2-enoxybenzamide is sourced from PubChem (CID 4925727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).