2-hydroxy-N-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide

C17H16N2O3 — CID 6876861

IUPAC2-hydroxy-N-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide
SMILESC=CCOc1cccc(/C=N/NC(=O)c2ccccc2O)c1
InChIInChI=1S/C17H16N2O3/c1-2-10-22-14-7-5-6-13(11-14)12-18-19-17(21)15-8-3-4-9-16(15)20/h2-9,11-12,20H,1,10H2,(H,19,21)/b18-12+
InChIKeyNYHOHUMXPSCSNT-LDADJPATSA-N
MW296.33 g/mol
LogP2.72
Rot. Bonds6

About 2-hydroxy-N-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide

2-hydroxy-N-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide (PubChem CID 6876861) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-hydroxy-N-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide
PubChem CID6876861
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-hydroxy-N-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide
SMILESC=CCOc1cccc(/C=N/NC(=O)c2ccccc2O)c1
InChIInChI=1S/C17H16N2O3/c1-2-10-22-14-7-5-6-13(11-14)12-18-19-17(21)15-8-3-4-9-16(15)20/h2-9,11-12,20H,1,10H2,(H,19,21)/b18-12+
InChIKeyNYHOHUMXPSCSNT-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': '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-fluoro-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 9016622
4-(benzenesulfonamido)-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6040213
4-amino-3,5,6-trichloro-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]pyridin-1-ium-2-carboxamide
CID 135904782
N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 6153387
2-methyl-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 19061066
2-methyl-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 19061075
(2S)-2-methoxy-2-phenyl-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 7330109
N-(benzylideneamino)-4-prop-2-enoxybenzamide
CID 4925725
N-(4-bromophenyl)-N'-[(3-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 4600648
N-(4-chlorophenyl)-N'-[(3-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 4068824
N-(4-chlorophenyl)-N'-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 6002264
2-amino-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 110340423

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-hydroxy-N-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide (CID 6876861) is 2-hydroxy-N-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-hydroxy-N-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide is C=CCOc1cccc(/C=N/NC(=O)c2ccccc2O)c1.
What is the InChIKey of 2-hydroxy-N-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide?
The InChIKey is NYHOHUMXPSCSNT-LDADJPATSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-2-10-22-14-7-5-6-13(11-14)12-18-19-17(21)15-8-3-4-9-16(15)20/h2-9,11-12,20H,1,10H2,(H,19,21)/b18-12+.
What are the key properties of 2-hydroxy-N-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide?
2-hydroxy-N-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide 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 2-hydroxy-N-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6876861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).