3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(2-phenylmethoxyethylideneamino)benzamide

C19H19N3O4 — CID 123484801

IUPAC3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(2-phenylmethoxyethylideneamino)benzamide
SMILESO=C(C=Cc1cccc(C(=O)NN=CCOCc2ccccc2)c1)NO
InChIInChI=1S/C19H19N3O4/c23-18(22-25)10-9-15-7-4-8-17(13-15)19(24)21-20-11-12-26-14-16-5-2-1-3-6-16/h1-11,13,25H,12,14H2,(H,21,24)(H,22,23)
InChIKeyQXSOETGJWWESOK-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.14
Rot. Bonds8

About 3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(2-phenylmethoxyethylideneamino)benzamide

3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(2-phenylmethoxyethylideneamino)benzamide (PubChem CID 123484801) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(2-phenylmethoxyethylideneamino)benzamide.

Molecular Properties

Compound Name3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(2-phenylmethoxyethylideneamino)benzamide
PubChem CID123484801
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(2-phenylmethoxyethylideneamino)benzamide
SMILESO=C(C=Cc1cccc(C(=O)NN=CCOCc2ccccc2)c1)NO
InChIInChI=1S/C19H19N3O4/c23-18(22-25)10-9-15-7-4-8-17(13-15)19(24)21-20-11-12-26-14-16-5-2-1-3-6-16/h1-11,13,25H,12,14H2,(H,21,24)(H,22,23)
InChIKeyQXSOETGJWWESOK-UHFFFAOYSA-N
XLogP2.14
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.14
H-Bond Donors ≤ 53
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

N-(cinnamylideneamino)-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
CID 123609140
(E)-N-hydroxy-3-[4-[2-(2-phenylmethoxyethylideneamino)acetyl]phenyl]prop-2-enamide
CID 157186793
N-[(2-amino-4,6-dihydroxyphenyl)methylideneamino]-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
CID 137103483
2-[(E)-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzoyl]hydrazinylidene]methyl]benzoic acid
CID 88862098
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]benzamide
CID 88862108
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
CID 88863813
3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzamide
CID 123812830
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-phenylbenzamide
CID 23557298
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(E)-(5-hydroxy-2-methylphenyl)methylideneamino]benzamide
CID 118475581
3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[[4-(2-hydroxyethoxy)phenyl]methylideneamino]benzamide
CID 123841694
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
CID 88862096
4-methoxy-N-[(E)-2-phenylmethoxyethylideneamino]benzamide
CID 135151082

Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(2-phenylmethoxyethylideneamino)benzamide?
The IUPAC name of 3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(2-phenylmethoxyethylideneamino)benzamide (CID 123484801) is 3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(2-phenylmethoxyethylideneamino)benzamide.
What is the SMILES notation for 3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(2-phenylmethoxyethylideneamino)benzamide?
The canonical SMILES for 3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(2-phenylmethoxyethylideneamino)benzamide is O=C(C=Cc1cccc(C(=O)NN=CCOCc2ccccc2)c1)NO.
What is the InChIKey of 3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(2-phenylmethoxyethylideneamino)benzamide?
The InChIKey is QXSOETGJWWESOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c23-18(22-25)10-9-15-7-4-8-17(13-15)19(24)21-20-11-12-26-14-16-5-2-1-3-6-16/h1-11,13,25H,12,14H2,(H,21,24)(H,22,23).
What are the key properties of 3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(2-phenylmethoxyethylideneamino)benzamide?
3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(2-phenylmethoxyethylideneamino)benzamide has a molecular weight of 353.38 g/mol, XLogP of 2.14, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(2-phenylmethoxyethylideneamino)benzamide is sourced from PubChem (CID 123484801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).