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

C25H24N2O3 — CID 51061114

IUPAC4-[(4-methylphenyl)methoxy]-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
SMILESC=CCOc1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C25H24N2O3/c1-3-16-29-23-12-8-20(9-13-23)17-26-27-25(28)22-10-14-24(15-11-22)30-18-21-6-4-19(2)5-7-21/h3-15,17H,1,16,18H2,2H3,(H,27,28)/b26-17+
InChIKeyFIXKKOPBEWDYMY-YZSQISJMSA-N
MW400.48 g/mol
LogP4.90
Rot. Bonds9

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

4-[(4-methylphenyl)methoxy]-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide (PubChem CID 51061114) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-[(4-methylphenyl)methoxy]-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[(4-methylphenyl)methoxy]-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
PubChem CID51061114
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name4-[(4-methylphenyl)methoxy]-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
SMILESC=CCOc1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C25H24N2O3/c1-3-16-29-23-12-8-20(9-13-23)17-26-27-25(28)22-10-14-24(15-11-22)30-18-21-6-4-19(2)5-7-21/h3-15,17H,1,16,18H2,2H3,(H,27,28)/b26-17+
InChIKeyFIXKKOPBEWDYMY-YZSQISJMSA-N
XLogP4.90
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-prop-2-enoxybenzamide
CID 45054949
4-amino-N-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 7650399
4-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 78518160
N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932926
4-prop-2-enoxy-N-[[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 4926312
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 135588976
[4-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 45054705
4-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6006510
N-[(4-bromophenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 4925636
N-(benzylideneamino)-4-prop-2-enoxybenzamide
CID 4925725
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365
[4-[(Z)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 6116646

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)methoxy]-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-[(4-methylphenyl)methoxy]-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide (CID 51061114) is 4-[(4-methylphenyl)methoxy]-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-[(4-methylphenyl)methoxy]-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-[(4-methylphenyl)methoxy]-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide is C=CCOc1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)methoxy]-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide?
The InChIKey is FIXKKOPBEWDYMY-YZSQISJMSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-3-16-29-23-12-8-20(9-13-23)17-26-27-25(28)22-10-14-24(15-11-22)30-18-21-6-4-19(2)5-7-21/h3-15,17H,1,16,18H2,2H3,(H,27,28)/b26-17+.
What are the key properties of 4-[(4-methylphenyl)methoxy]-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide?
4-[(4-methylphenyl)methoxy]-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide has a molecular weight of 400.48 g/mol, XLogP of 4.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)methoxy]-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 51061114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).