N-[1-(4-hydroxyphenyl)propylideneamino]-2-prop-2-enoxybenzamide

C19H20N2O3 — CID 4928957

IUPACN-[1-(4-hydroxyphenyl)propylideneamino]-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)NN=C(CC)c1ccc(O)cc1
InChIInChI=1S/C19H20N2O3/c1-3-13-24-18-8-6-5-7-16(18)19(23)21-20-17(4-2)14-9-11-15(22)12-10-14/h3,5-12,22H,1,4,13H2,2H3,(H,21,23)
InChIKeyBYVXALKZAYJDOB-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.50
Rot. Bonds7

About N-[1-(4-hydroxyphenyl)propylideneamino]-2-prop-2-enoxybenzamide

N-[1-(4-hydroxyphenyl)propylideneamino]-2-prop-2-enoxybenzamide (PubChem CID 4928957) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[1-(4-hydroxyphenyl)propylideneamino]-2-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-hydroxyphenyl)propylideneamino]-2-prop-2-enoxybenzamide
PubChem CID4928957
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[1-(4-hydroxyphenyl)propylideneamino]-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)NN=C(CC)c1ccc(O)cc1
InChIInChI=1S/C19H20N2O3/c1-3-13-24-18-8-6-5-7-16(18)19(23)21-20-17(4-2)14-9-11-15(22)12-10-14/h3,5-12,22H,1,4,13H2,2H3,(H,21,23)
InChIKeyBYVXALKZAYJDOB-UHFFFAOYSA-N
XLogP3.50
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.50
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

N-[1-(4-hydroxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide
CID 4928960
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-methoxybenzamide
CID 135643099
N-[(E)-pentan-2-ylideneamino]-2-prop-2-enoxybenzamide
CID 54785708
2-fluoro-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135609434
N-(1-naphthalen-2-ylethylideneamino)-2-prop-2-enoxybenzamide
CID 4928953
N-[1-(4-hydroxyphenyl)propylideneamino]naphthalene-1-carboxamide
CID 903928
4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4622646
1-(4-hydroxyphenyl)-5-(2-prop-2-enoxyphenyl)pentane-1,3,5-trione
CID 10806921
N-[1-(4-hydroxyphenyl)propylideneamino]-4-phenylmethoxybenzamide
CID 4933037
N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2-nitrobenzamide
CID 135899627
N-[1-(furan-2-yl)ethylideneamino]-2-prop-2-enoxybenzamide
CID 4928992
N'-(4-tert-butylbenzoyl)-2-prop-2-enoxybenzohydrazide
CID 4929142

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxyphenyl)propylideneamino]-2-prop-2-enoxybenzamide?
The IUPAC name of N-[1-(4-hydroxyphenyl)propylideneamino]-2-prop-2-enoxybenzamide (CID 4928957) is N-[1-(4-hydroxyphenyl)propylideneamino]-2-prop-2-enoxybenzamide.
What is the SMILES notation for N-[1-(4-hydroxyphenyl)propylideneamino]-2-prop-2-enoxybenzamide?
The canonical SMILES for N-[1-(4-hydroxyphenyl)propylideneamino]-2-prop-2-enoxybenzamide is C=CCOc1ccccc1C(=O)NN=C(CC)c1ccc(O)cc1.
What is the InChIKey of N-[1-(4-hydroxyphenyl)propylideneamino]-2-prop-2-enoxybenzamide?
The InChIKey is BYVXALKZAYJDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-13-24-18-8-6-5-7-16(18)19(23)21-20-17(4-2)14-9-11-15(22)12-10-14/h3,5-12,22H,1,4,13H2,2H3,(H,21,23).
What are the key properties of N-[1-(4-hydroxyphenyl)propylideneamino]-2-prop-2-enoxybenzamide?
N-[1-(4-hydroxyphenyl)propylideneamino]-2-prop-2-enoxybenzamide has a molecular weight of 324.38 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxyphenyl)propylideneamino]-2-prop-2-enoxybenzamide is sourced from PubChem (CID 4928957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).