N-[(E)-1-phenylethylideneamino]-4-prop-2-enoxybenzamide

C18H18N2O2 — CID 6232405

IUPACN-[(E)-1-phenylethylideneamino]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)N/N=C(\C)c2ccccc2)cc1
InChIInChI=1S/C18H18N2O2/c1-3-13-22-17-11-9-16(10-12-17)18(21)20-19-14(2)15-7-5-4-6-8-15/h3-12H,1,13H2,2H3,(H,20,21)/b19-14+
InChIKeyXTTZAMPUBMXZMN-XMHGGMMESA-N
MW294.35 g/mol
LogP3.41
Rot. Bonds6

About N-[(E)-1-phenylethylideneamino]-4-prop-2-enoxybenzamide

N-[(E)-1-phenylethylideneamino]-4-prop-2-enoxybenzamide (PubChem CID 6232405) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[(E)-1-phenylethylideneamino]-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[(E)-1-phenylethylideneamino]-4-prop-2-enoxybenzamide
PubChem CID6232405
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-[(E)-1-phenylethylideneamino]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)N/N=C(\C)c2ccccc2)cc1
InChIInChI=1S/C18H18N2O2/c1-3-13-22-17-11-9-16(10-12-17)18(21)20-19-14(2)15-7-5-4-6-8-15/h3-12H,1,13H2,2H3,(H,20,21)/b19-14+
InChIKeyXTTZAMPUBMXZMN-XMHGGMMESA-N
XLogP3.41
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.41
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'}

Analyze N-[(E)-1-phenylethylideneamino]-4-prop-2-enoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-methoxyphenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925777
N-[1-(4-hydroxyphenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925771
N-[1-(4-aminophenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925774
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
N-[(2-methyl-1-phenylpropylidene)amino]-4-prop-2-enoxybenzamide
CID 4982210
N-[1-(4-nitrophenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925773
4-(2-methylpropoxy)-N-(1-phenylethylideneamino)benzamide
CID 4929975
N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-prop-2-enoxybenzamide
CID 6380482
N-[(Z)-1-(4-phenoxyphenyl)ethylideneamino]benzamide
CID 5418111
N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]benzamide
CID 9058750
N-(1-cyclopropylethylideneamino)-4-prop-2-enoxybenzamide
CID 4925730
N-[(2-methyl-3-phenylprop-2-enylidene)amino]-4-prop-2-enoxybenzamide
CID 75610197

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-phenylethylideneamino]-4-prop-2-enoxybenzamide?
The IUPAC name of N-[(E)-1-phenylethylideneamino]-4-prop-2-enoxybenzamide (CID 6232405) is N-[(E)-1-phenylethylideneamino]-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-[(E)-1-phenylethylideneamino]-4-prop-2-enoxybenzamide?
The canonical SMILES for N-[(E)-1-phenylethylideneamino]-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)N/N=C(\C)c2ccccc2)cc1.
What is the InChIKey of N-[(E)-1-phenylethylideneamino]-4-prop-2-enoxybenzamide?
The InChIKey is XTTZAMPUBMXZMN-XMHGGMMESA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-13-22-17-11-9-16(10-12-17)18(21)20-19-14(2)15-7-5-4-6-8-15/h3-12H,1,13H2,2H3,(H,20,21)/b19-14+.
What are the key properties of N-[(E)-1-phenylethylideneamino]-4-prop-2-enoxybenzamide?
N-[(E)-1-phenylethylideneamino]-4-prop-2-enoxybenzamide has a molecular weight of 294.35 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-phenylethylideneamino]-4-prop-2-enoxybenzamide is sourced from PubChem (CID 6232405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).