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

C18H23N3O3 — CID 123547157

IUPACN-(cyclooctylideneamino)-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
SMILESO=C(C=Cc1cccc(C(=O)NN=C2CCCCCCC2)c1)NO
InChIInChI=1S/C18H23N3O3/c22-17(21-24)12-11-14-7-6-8-15(13-14)18(23)20-19-16-9-4-2-1-3-5-10-16/h6-8,11-13,24H,1-5,9-10H2,(H,20,23)(H,21,22)
InChIKeyXVHNQHYBWBITSX-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.04
Rot. Bonds4

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

N-(cyclooctylideneamino)-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide (PubChem CID 123547157) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(cyclooctylideneamino)-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-(cyclooctylideneamino)-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
PubChem CID123547157
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-(cyclooctylideneamino)-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
SMILESO=C(C=Cc1cccc(C(=O)NN=C2CCCCCCC2)c1)NO
InChIInChI=1S/C18H23N3O3/c22-17(21-24)12-11-14-7-6-8-15(13-14)18(23)20-19-16-9-4-2-1-3-5-10-16/h6-8,11-13,24H,1-5,9-10H2,(H,20,23)(H,21,22)
InChIKeyXVHNQHYBWBITSX-UHFFFAOYSA-N
XLogP3.04
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.04
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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Frequently Asked Questions

What is the IUPAC name of N-(cyclooctylideneamino)-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide?
The IUPAC name of N-(cyclooctylideneamino)-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide (CID 123547157) is N-(cyclooctylideneamino)-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide.
What is the SMILES notation for N-(cyclooctylideneamino)-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide?
The canonical SMILES for N-(cyclooctylideneamino)-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide is O=C(C=Cc1cccc(C(=O)NN=C2CCCCCCC2)c1)NO.
What is the InChIKey of N-(cyclooctylideneamino)-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide?
The InChIKey is XVHNQHYBWBITSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-17(21-24)12-11-14-7-6-8-15(13-14)18(23)20-19-16-9-4-2-1-3-5-10-16/h6-8,11-13,24H,1-5,9-10H2,(H,20,23)(H,21,22).
What are the key properties of N-(cyclooctylideneamino)-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide?
N-(cyclooctylideneamino)-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide has a molecular weight of 329.40 g/mol, XLogP of 3.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclooctylideneamino)-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide is sourced from PubChem (CID 123547157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).