(E)-N-hydroxy-3-[4-[2-(2-phenylmethoxyethylideneamino)acetyl]phenyl]prop-2-enamide

C20H20N2O4 — CID 157186793

IUPAC(E)-N-hydroxy-3-[4-[2-(2-phenylmethoxyethylideneamino)acetyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(C(=O)C/N=C/COCc2ccccc2)cc1)NO
InChIInChI=1S/C20H20N2O4/c23-19(14-21-12-13-26-15-17-4-2-1-3-5-17)18-9-6-16(7-10-18)8-11-20(24)22-25/h1-12,25H,13-15H2,(H,22,24)/b11-8+,21-12+
InChIKeyHKUYLXLMJGNHAF-GIDSKACHSA-N
MW352.39 g/mol
LogP2.68
Rot. Bonds9

About (E)-N-hydroxy-3-[4-[2-(2-phenylmethoxyethylideneamino)acetyl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[4-[2-(2-phenylmethoxyethylideneamino)acetyl]phenyl]prop-2-enamide (PubChem CID 157186793) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[2-(2-phenylmethoxyethylideneamino)acetyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[2-(2-phenylmethoxyethylideneamino)acetyl]phenyl]prop-2-enamide
PubChem CID157186793
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name(E)-N-hydroxy-3-[4-[2-(2-phenylmethoxyethylideneamino)acetyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(C(=O)C/N=C/COCc2ccccc2)cc1)NO
InChIInChI=1S/C20H20N2O4/c23-19(14-21-12-13-26-15-17-4-2-1-3-5-17)18-9-6-16(7-10-18)8-11-20(24)22-25/h1-12,25H,13-15H2,(H,22,24)/b11-8+,21-12+
InChIKeyHKUYLXLMJGNHAF-GIDSKACHSA-N
XLogP2.68
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-[2-(benzylideneamino)acetyl]phenyl]-N-hydroxyprop-2-enamide
CID 157186787
3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(2-phenylmethoxyethylideneamino)benzamide
CID 123484801
1-[4-[(E)-3-phenylmethoxyprop-1-enyl]phenyl]ethanone
CID 11230907
N-hydroxy-3-(4-propanoylphenyl)prop-2-enamide
CID 141299879
N-cyclopropyl-4-[(E)-3-oxo-3-[[4-(phenylmethoxymethyl)phenyl]methylamino]prop-1-enyl]benzamide
CID 55697987
4-phenylmethoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 6234109
(E)-N-hydroxy-3-(4-phenoxyphenyl)prop-2-enamide
CID 155562725
4-methyl-N'-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 22831284
(E)-3-[4-[(E)-3-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 24756555
3-[4-[3-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 91415753
(E)-4-phenyl-1-phenylmethoxybut-3-en-2-one
CID 134965413
N-hydroxy-3-[1-(3-hydroxypropyl)-2-(phenylmethoxymethyl)benzimidazol-5-yl]prop-2-enamide
CID 72757507

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-[2-(2-phenylmethoxyethylideneamino)acetyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[2-(2-phenylmethoxyethylideneamino)acetyl]phenyl]prop-2-enamide (CID 157186793) is (E)-N-hydroxy-3-[4-[2-(2-phenylmethoxyethylideneamino)acetyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[2-(2-phenylmethoxyethylideneamino)acetyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[2-(2-phenylmethoxyethylideneamino)acetyl]phenyl]prop-2-enamide is O=C(/C=C/c1ccc(C(=O)C/N=C/COCc2ccccc2)cc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[4-[2-(2-phenylmethoxyethylideneamino)acetyl]phenyl]prop-2-enamide?
The InChIKey is HKUYLXLMJGNHAF-GIDSKACHSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-19(14-21-12-13-26-15-17-4-2-1-3-5-17)18-9-6-16(7-10-18)8-11-20(24)22-25/h1-12,25H,13-15H2,(H,22,24)/b11-8+,21-12+.
What are the key properties of (E)-N-hydroxy-3-[4-[2-(2-phenylmethoxyethylideneamino)acetyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[2-(2-phenylmethoxyethylideneamino)acetyl]phenyl]prop-2-enamide has a molecular weight of 352.39 g/mol, XLogP of 2.68, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-[2-(2-phenylmethoxyethylideneamino)acetyl]phenyl]prop-2-enamide is sourced from PubChem (CID 157186793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).