2-hydroxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide

C12H14N2O3 — CID 5333365

IUPAC2-hydroxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide
SMILESC=CCOc1ccc(/C=N/NC(=O)CO)cc1
InChIInChI=1S/C12H14N2O3/c1-2-7-17-11-5-3-10(4-6-11)8-13-14-12(16)9-15/h2-6,8,15H,1,7,9H2,(H,14,16)/b13-8+
InChIKeyZNZISQPUHOTWIY-MDWZMJQESA-N
MW234.25 g/mol
LogP0.69
Rot. Bonds6

About 2-hydroxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide

2-hydroxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide (PubChem CID 5333365) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-hydroxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide
PubChem CID5333365
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-hydroxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide
SMILESC=CCOc1ccc(/C=N/NC(=O)CO)cc1
InChIInChI=1S/C12H14N2O3/c1-2-7-17-11-5-3-10(4-6-11)8-13-14-12(16)9-15/h2-6,8,15H,1,7,9H2,(H,14,16)/b13-8+
InChIKeyZNZISQPUHOTWIY-MDWZMJQESA-N
XLogP0.69
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.69
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-prop-2-enoxy-N-[[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 4926312
N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]hexadecanamide
CID 51061289
N-(4-prop-2-enoxyphenyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 8989337
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 135588976
4-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6006510
N-propan-2-yl-N'-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 6896236
N-[(4-bromophenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 4925636
N-butyl-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 8989325
N-(benzylideneamino)-4-prop-2-enoxybenzamide
CID 4925725
N',N'-diethyl-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 6378231
3-(4-methylphenyl)sulfanyl-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]propanamide
CID 126126523
2-methyl-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 19061066

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-hydroxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide (CID 5333365) is 2-hydroxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-hydroxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-hydroxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide is C=CCOc1ccc(/C=N/NC(=O)CO)cc1.
What is the InChIKey of 2-hydroxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide?
The InChIKey is ZNZISQPUHOTWIY-MDWZMJQESA-N. The full InChI is InChI=1S/C12H14N2O3/c1-2-7-17-11-5-3-10(4-6-11)8-13-14-12(16)9-15/h2-6,8,15H,1,7,9H2,(H,14,16)/b13-8+.
What are the key properties of 2-hydroxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide?
2-hydroxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide has a molecular weight of 234.25 g/mol, XLogP of 0.69, 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)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 5333365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).