N-[(2-methyl-3-phenylprop-2-enylidene)amino]-4-prop-2-enoxybenzamide

C20H20N2O2 — CID 75610197

IUPACN-[(2-methyl-3-phenylprop-2-enylidene)amino]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NN=CC(C)=Cc2ccccc2)cc1
InChIInChI=1S/C20H20N2O2/c1-3-13-24-19-11-9-18(10-12-19)20(23)22-21-15-16(2)14-17-7-5-4-6-8-17/h3-12,14-15H,1,13H2,2H3,(H,22,23)
InChIKeyXHKHATGQRKLPJU-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.07
Rot. Bonds7

About N-[(2-methyl-3-phenylprop-2-enylidene)amino]-4-prop-2-enoxybenzamide

N-[(2-methyl-3-phenylprop-2-enylidene)amino]-4-prop-2-enoxybenzamide (PubChem CID 75610197) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[(2-methyl-3-phenylprop-2-enylidene)amino]-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[(2-methyl-3-phenylprop-2-enylidene)amino]-4-prop-2-enoxybenzamide
PubChem CID75610197
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-[(2-methyl-3-phenylprop-2-enylidene)amino]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NN=CC(C)=Cc2ccccc2)cc1
InChIInChI=1S/C20H20N2O2/c1-3-13-24-19-11-9-18(10-12-19)20(23)22-21-15-16(2)14-17-7-5-4-6-8-17/h3-12,14-15H,1,13H2,2H3,(H,22,23)
InChIKeyXHKHATGQRKLPJU-UHFFFAOYSA-N
XLogP4.07
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.07
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-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 51060496
4-tert-butyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 3833151
N-[(E)-1-phenylethylideneamino]-4-prop-2-enoxybenzamide
CID 6232405
3,4-dimethoxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 6874229
4-prop-2-enoxy-N-[[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 4926312
N-(2-phenylethylideneamino)-4-prop-2-enoxybenzamide
CID 4925727
[4-[(Z)-[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6115360
N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-4-[(2E)-2-(2-methyl-3-phenylprop-2-enylidene)hydrazinyl]benzamide;sulfuric acid
CID 84582855
4-[(4-chloro-3-methylphenoxy)methyl]-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 7929973
3-methyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 4175979
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6048763

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-3-phenylprop-2-enylidene)amino]-4-prop-2-enoxybenzamide?
The IUPAC name of N-[(2-methyl-3-phenylprop-2-enylidene)amino]-4-prop-2-enoxybenzamide (CID 75610197) is N-[(2-methyl-3-phenylprop-2-enylidene)amino]-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-[(2-methyl-3-phenylprop-2-enylidene)amino]-4-prop-2-enoxybenzamide?
The canonical SMILES for N-[(2-methyl-3-phenylprop-2-enylidene)amino]-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NN=CC(C)=Cc2ccccc2)cc1.
What is the InChIKey of N-[(2-methyl-3-phenylprop-2-enylidene)amino]-4-prop-2-enoxybenzamide?
The InChIKey is XHKHATGQRKLPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-3-13-24-19-11-9-18(10-12-19)20(23)22-21-15-16(2)14-17-7-5-4-6-8-17/h3-12,14-15H,1,13H2,2H3,(H,22,23).
What are the key properties of N-[(2-methyl-3-phenylprop-2-enylidene)amino]-4-prop-2-enoxybenzamide?
N-[(2-methyl-3-phenylprop-2-enylidene)amino]-4-prop-2-enoxybenzamide has a molecular weight of 320.39 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-3-phenylprop-2-enylidene)amino]-4-prop-2-enoxybenzamide is sourced from PubChem (CID 75610197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).