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

C19H17N3O3 — CID 123609140

IUPACN-(cinnamylideneamino)-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
SMILESO=C(C=Cc1cccc(C(=O)NN=CC=Cc2ccccc2)c1)NO
InChIInChI=1S/C19H17N3O3/c23-18(22-25)12-11-16-8-4-10-17(14-16)19(24)21-20-13-5-9-15-6-2-1-3-7-15/h1-14,25H,(H,21,24)(H,22,23)
InChIKeyGJJZNQZOJIVOJE-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.63
Rot. Bonds6

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

N-(cinnamylideneamino)-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide (PubChem CID 123609140) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-(cinnamylideneamino)-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-(cinnamylideneamino)-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
PubChem CID123609140
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-(cinnamylideneamino)-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
SMILESO=C(C=Cc1cccc(C(=O)NN=CC=Cc2ccccc2)c1)NO
InChIInChI=1S/C19H17N3O3/c23-18(22-25)12-11-16-8-4-10-17(14-16)19(24)21-20-13-5-9-15-6-2-1-3-7-15/h1-14,25H,(H,21,24)(H,22,23)
InChIKeyGJJZNQZOJIVOJE-UHFFFAOYSA-N
XLogP2.63
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

2-[(E)-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzoyl]hydrazinylidene]methyl]benzoic acid
CID 88862098
3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzamide
CID 123812830
3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(2-phenylmethoxyethylideneamino)benzamide
CID 123484801
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-phenylbenzamide
CID 23557298
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
CID 88862096
N-[(2-amino-4,6-dihydroxyphenyl)methylideneamino]-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
CID 137103483
N-[[4-(dimethylamino)phenyl]methylideneamino]-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
CID 123854459
4-benzamido-N-(cinnamylideneamino)benzamide
CID 5097860
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(E)-(5-hydroxy-2-methylphenyl)methylideneamino]benzamide
CID 118475581
N-(cycloheptylideneamino)-3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
CID 88862126
N-(cyclooctylideneamino)-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
CID 123547157
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(E)-(4-methylthiophen-2-yl)methylideneamino]benzamide
CID 88862150

Frequently Asked Questions

What is the IUPAC name of N-(cinnamylideneamino)-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide?
The IUPAC name of N-(cinnamylideneamino)-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide (CID 123609140) is N-(cinnamylideneamino)-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide.
What is the SMILES notation for N-(cinnamylideneamino)-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide?
The canonical SMILES for N-(cinnamylideneamino)-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide is O=C(C=Cc1cccc(C(=O)NN=CC=Cc2ccccc2)c1)NO.
What is the InChIKey of N-(cinnamylideneamino)-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide?
The InChIKey is GJJZNQZOJIVOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-18(22-25)12-11-16-8-4-10-17(14-16)19(24)21-20-13-5-9-15-6-2-1-3-7-15/h1-14,25H,(H,21,24)(H,22,23).
What are the key properties of N-(cinnamylideneamino)-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide?
N-(cinnamylideneamino)-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide has a molecular weight of 335.36 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cinnamylideneamino)-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide is sourced from PubChem (CID 123609140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).