2-methyl-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide

C18H18N2O2 — CID 19061066

IUPAC2-methyl-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
SMILESC=CCOc1ccc(/C=N/NC(=O)c2ccccc2C)cc1
InChIInChI=1S/C18H18N2O2/c1-3-12-22-16-10-8-15(9-11-16)13-19-20-18(21)17-7-5-4-6-14(17)2/h3-11,13H,1,12H2,2H3,(H,20,21)/b19-13+
InChIKeyXINPQYHKJFTWOT-CPNJWEJPSA-N
MW294.35 g/mol
LogP3.32
Rot. Bonds6

About 2-methyl-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide

2-methyl-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide (PubChem CID 19061066) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-methyl-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
PubChem CID19061066
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-methyl-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
SMILESC=CCOc1ccc(/C=N/NC(=O)c2ccccc2C)cc1
InChIInChI=1S/C18H18N2O2/c1-3-12-22-16-10-8-15(9-11-16)13-19-20-18(21)17-7-5-4-6-14(17)2/h3-11,13H,1,12H2,2H3,(H,20,21)/b19-13+
InChIKeyXINPQYHKJFTWOT-CPNJWEJPSA-N
XLogP3.32
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 ≤ 53.32
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 2-methyl-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide 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

2-methyl-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 916420
2-methyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 19061065
4-prop-2-enoxy-N-[[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 4926312
2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
CID 5405615
N-(2-methylphenyl)-N'-[(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 4637853
N-(benzylideneamino)-4-prop-2-enoxybenzamide
CID 4925725
[4-[(Z)-[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 6109937
3-chloro-4-methyl-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 126062015
N-[2-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide
CID 45054416
N-[(E)-(3-ethoxy-5-iodo-4-prop-2-enoxyphenyl)methylideneamino]-2-methylbenzamide
CID 19061167
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 135588976
N-[(4-propan-2-ylphenyl)methylideneamino]-2-prop-2-enoxybenzamide
CID 4928862

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-methyl-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide (CID 19061066) is 2-methyl-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-methyl-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-methyl-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide is C=CCOc1ccc(/C=N/NC(=O)c2ccccc2C)cc1.
What is the InChIKey of 2-methyl-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide?
The InChIKey is XINPQYHKJFTWOT-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-12-22-16-10-8-15(9-11-16)13-19-20-18(21)17-7-5-4-6-14(17)2/h3-11,13H,1,12H2,2H3,(H,20,21)/b19-13+.
What are the key properties of 2-methyl-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide?
2-methyl-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide has a molecular weight of 294.35 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 19061066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).