3-(anthracen-9-ylmethylideneamino)-N-hydroxypropanamide

C18H16N2O2 — CID 15306192

IUPAC3-(anthracen-9-ylmethylideneamino)-N-hydroxypropanamide
SMILESO=C(CC/N=C/c1c2ccccc2cc2ccccc12)NO
InChIInChI=1S/C18H16N2O2/c21-18(20-22)9-10-19-12-17-15-7-3-1-5-13(15)11-14-6-2-4-8-16(14)17/h1-8,11-12,22H,9-10H2,(H,20,21)/b19-12+
InChIKeyZEILWFKVWURHQG-XDHOZWIPSA-N
MW292.34 g/mol
LogP3.31
Rot. Bonds4

About 3-(anthracen-9-ylmethylideneamino)-N-hydroxypropanamide

3-(anthracen-9-ylmethylideneamino)-N-hydroxypropanamide (PubChem CID 15306192) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-(anthracen-9-ylmethylideneamino)-N-hydroxypropanamide.

Molecular Properties

Compound Name3-(anthracen-9-ylmethylideneamino)-N-hydroxypropanamide
PubChem CID15306192
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name3-(anthracen-9-ylmethylideneamino)-N-hydroxypropanamide
SMILESO=C(CC/N=C/c1c2ccccc2cc2ccccc12)NO
InChIInChI=1S/C18H16N2O2/c21-18(20-22)9-10-19-12-17-15-7-3-1-5-13(15)11-14-6-2-4-8-16(14)17/h1-8,11-12,22H,9-10H2,(H,20,21)/b19-12+
InChIKeyZEILWFKVWURHQG-XDHOZWIPSA-N
XLogP3.31
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-(anthracen-9-ylmethylideneamino)propan-1-ol
CID 4598040
4-[2-(anthracen-9-ylmethylideneamino)ethyl]benzene-1,2-diol
CID 122222745
N'-(anthracen-9-ylmethylideneamino)-N-(2-bromophenyl)butanediamide
CID 609050
N'-(anthracen-9-ylmethylideneamino)-N-(3-bromophenyl)pentanediamide
CID 4997402
(NZ)-N-(anthracen-9-ylmethylidene)hydroxylamine
CID 5355154
N,N-bis[2-(anthracen-9-ylmethylideneamino)ethyl]-2-(benzylideneamino)ethanamine
CID 11104046
1-(anthracen-9-ylmethylideneamino)-7-(4-bromophenyl)heptane-2,6-dione
CID 148728950
N-[2-[2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]decanamide
CID 4142604
N-(anthracen-9-ylmethylideneamino)-1-hydroxynaphthalene-2-carboxamide
CID 3995979
N'-[(Z)-anthracen-9-ylmethylideneamino]-N-methyloxamide
CID 7718958
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-fluoroanilino)acetamide
CID 94836370
N,N'-bis(anthracen-9-ylmethyl)hexanediamide
CID 101246175

Frequently Asked Questions

What is the IUPAC name of 3-(anthracen-9-ylmethylideneamino)-N-hydroxypropanamide?
The IUPAC name of 3-(anthracen-9-ylmethylideneamino)-N-hydroxypropanamide (CID 15306192) is 3-(anthracen-9-ylmethylideneamino)-N-hydroxypropanamide.
What is the SMILES notation for 3-(anthracen-9-ylmethylideneamino)-N-hydroxypropanamide?
The canonical SMILES for 3-(anthracen-9-ylmethylideneamino)-N-hydroxypropanamide is O=C(CC/N=C/c1c2ccccc2cc2ccccc12)NO.
What is the InChIKey of 3-(anthracen-9-ylmethylideneamino)-N-hydroxypropanamide?
The InChIKey is ZEILWFKVWURHQG-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-18(20-22)9-10-19-12-17-15-7-3-1-5-13(15)11-14-6-2-4-8-16(14)17/h1-8,11-12,22H,9-10H2,(H,20,21)/b19-12+.
What are the key properties of 3-(anthracen-9-ylmethylideneamino)-N-hydroxypropanamide?
3-(anthracen-9-ylmethylideneamino)-N-hydroxypropanamide has a molecular weight of 292.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(anthracen-9-ylmethylideneamino)-N-hydroxypropanamide is sourced from PubChem (CID 15306192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).