N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide

C17H16N2O3 — CID 135588976

IUPACN-[(E)-(4-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)N/N=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C17H16N2O3/c1-2-11-22-16-9-5-14(6-10-16)17(21)19-18-12-13-3-7-15(20)8-4-13/h2-10,12,20H,1,11H2,(H,19,21)/b18-12+
InChIKeyZSKVSQUPJDUZHK-LDADJPATSA-N
MW296.33 g/mol
LogP2.72
Rot. Bonds6

About N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide

N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide (PubChem CID 135588976) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide
PubChem CID135588976
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)N/N=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C17H16N2O3/c1-2-11-22-16-9-5-14(6-10-16)17(21)19-18-12-13-3-7-15(20)8-4-13/h2-10,12,20H,1,11H2,(H,19,21)/b18-12+
InChIKeyZSKVSQUPJDUZHK-LDADJPATSA-N
XLogP2.72
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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

4-prop-2-enoxy-N-[[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 4926312
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-prop-2-enoxy-N-(pyridin-4-ylmethylideneamino)benzamide
CID 3342882
4-ethoxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135472605
N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-prop-2-enoxybenzamide
CID 45054949
4-[(4-methylphenyl)methoxy]-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 51061114
[4-[(Z)-[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6115360
4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 136845072
4-[(4-ethoxyphenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135849467
N-[1-(4-hydroxyphenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925771

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide?
The IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide (CID 135588976) is N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide?
The canonical SMILES for N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)N/N=C/c2ccc(O)cc2)cc1.
What is the InChIKey of N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide?
The InChIKey is ZSKVSQUPJDUZHK-LDADJPATSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-2-11-22-16-9-5-14(6-10-16)17(21)19-18-12-13-3-7-15(20)8-4-13/h2-10,12,20H,1,11H2,(H,19,21)/b18-12+.
What are the key properties of N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide?
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide has a molecular weight of 296.33 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide is sourced from PubChem (CID 135588976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).