(8E)-N-hydroxy-8-hydroxyimino-8-naphthalen-2-yloctanamide

C18H22N2O3 — CID 10903123

IUPAC(8E)-N-hydroxy-8-hydroxyimino-8-naphthalen-2-yloctanamide
SMILESO=C(CCCCCC/C(=N\O)c1ccc2ccccc2c1)NO
InChIInChI=1S/C18H22N2O3/c21-18(20-23)10-4-2-1-3-9-17(19-22)16-12-11-14-7-5-6-8-15(14)13-16/h5-8,11-13,22-23H,1-4,9-10H2,(H,20,21)/b19-17+
InChIKeyJHGLKWFFGHWITA-HTXNQAPBSA-N
MW314.38 g/mol
LogP3.86
Rot. Bonds8

About (8E)-N-hydroxy-8-hydroxyimino-8-naphthalen-2-yloctanamide

(8E)-N-hydroxy-8-hydroxyimino-8-naphthalen-2-yloctanamide (PubChem CID 10903123) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is (8E)-N-hydroxy-8-hydroxyimino-8-naphthalen-2-yloctanamide.

Molecular Properties

Compound Name(8E)-N-hydroxy-8-hydroxyimino-8-naphthalen-2-yloctanamide
PubChem CID10903123
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name(8E)-N-hydroxy-8-hydroxyimino-8-naphthalen-2-yloctanamide
SMILESO=C(CCCCCC/C(=N\O)c1ccc2ccccc2c1)NO
InChIInChI=1S/C18H22N2O3/c21-18(20-23)10-4-2-1-3-9-17(19-22)16-12-11-14-7-5-6-8-15(14)13-16/h5-8,11-13,22-23H,1-4,9-10H2,(H,20,21)/b19-17+
InChIKeyJHGLKWFFGHWITA-HTXNQAPBSA-N
XLogP3.86
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(8E)-N-hydroxy-8-hydroxyimino-8-(4-phenylphenyl)octanamide
CID 10088613
(8E)-8-(1-benzofuran-2-yl)-N-hydroxy-8-hydroxyiminooctanamide
CID 23072393
N,N'-bis[(Z)-1-naphthalen-2-ylethylideneamino]nonanediamide
CID 92652613
N,N'-bis(1-naphthalen-2-ylethylideneamino)octanediamide
CID 4172674
N,8-dihydroxy-8-naphthalen-2-yloctanamide
CID 11044829
8-(furan-2-yl)-N-hydroxy-8-hydroxyiminooctanamide
CID 74015259
(NZ)-N-(1-naphthalen-2-ylbut-3-enylidene)hydroxylamine
CID 101486350
N-hydroxy-8-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-8-oxooctanamide
CID 10238336
(NZ)-N-(1-naphthalen-2-yl-2-naphthalen-2-yloxyethylidene)hydroxylamine
CID 122179768
8-hydroxy-1-naphthalen-2-yloctan-1-one
CID 23072385
7-hydroxy-1-naphthalen-2-ylheptan-1-one
CID 142086733
N-hydroxy-2-[4-[(4Z)-4-hydroxyimino-4-phenylbutyl]phenyl]acetamide
CID 90006215

Frequently Asked Questions

What is the IUPAC name of (8E)-N-hydroxy-8-hydroxyimino-8-naphthalen-2-yloctanamide?
The IUPAC name of (8E)-N-hydroxy-8-hydroxyimino-8-naphthalen-2-yloctanamide (CID 10903123) is (8E)-N-hydroxy-8-hydroxyimino-8-naphthalen-2-yloctanamide.
What is the SMILES notation for (8E)-N-hydroxy-8-hydroxyimino-8-naphthalen-2-yloctanamide?
The canonical SMILES for (8E)-N-hydroxy-8-hydroxyimino-8-naphthalen-2-yloctanamide is O=C(CCCCCC/C(=N\O)c1ccc2ccccc2c1)NO.
What is the InChIKey of (8E)-N-hydroxy-8-hydroxyimino-8-naphthalen-2-yloctanamide?
The InChIKey is JHGLKWFFGHWITA-HTXNQAPBSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-18(20-23)10-4-2-1-3-9-17(19-22)16-12-11-14-7-5-6-8-15(14)13-16/h5-8,11-13,22-23H,1-4,9-10H2,(H,20,21)/b19-17+.
What are the key properties of (8E)-N-hydroxy-8-hydroxyimino-8-naphthalen-2-yloctanamide?
(8E)-N-hydroxy-8-hydroxyimino-8-naphthalen-2-yloctanamide has a molecular weight of 314.38 g/mol, XLogP of 3.86, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-N-hydroxy-8-hydroxyimino-8-naphthalen-2-yloctanamide is sourced from PubChem (CID 10903123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).