4-hexoxy-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide

C19H30N2O5 — CID 90681613

IUPAC4-hexoxy-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide
SMILESCCCCCCOc1ccc(C(=O)NOCCCCCC(=O)NO)cc1
InChIInChI=1S/C19H30N2O5/c1-2-3-4-7-14-25-17-12-10-16(11-13-17)19(23)21-26-15-8-5-6-9-18(22)20-24/h10-13,24H,2-9,14-15H2,1H3,(H,20,22)(H,21,23)
InChIKeyZKDDNRAFRGHACI-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.37
Rot. Bonds14

About 4-hexoxy-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide

4-hexoxy-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide (PubChem CID 90681613) has the molecular formula C19H30N2O5 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-hexoxy-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide.

Molecular Properties

Compound Name4-hexoxy-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide
PubChem CID90681613
Molecular FormulaC19H30N2O5
Molecular Weight366.46 g/mol
Exact Mass366.22
IUPAC Name4-hexoxy-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide
SMILESCCCCCCOc1ccc(C(=O)NOCCCCCC(=O)NO)cc1
InChIInChI=1S/C19H30N2O5/c1-2-3-4-7-14-25-17-12-10-16(11-13-17)19(23)21-26-15-8-5-6-9-18(22)20-24/h10-13,24H,2-9,14-15H2,1H3,(H,20,22)(H,21,23)
InChIKeyZKDDNRAFRGHACI-UHFFFAOYSA-N
XLogP3.37
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.37
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[6-(hydroxyamino)-6-oxohexoxy]-4-propoxybenzamide
CID 90681607
4-dodecoxy-N-tridecanoylbenzamide
CID 14273876
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
N-[6-(hydroxyamino)-6-oxohexoxy]benzamide
CID 71520627
4-pentoxybenzohydrazide
CID 2727702
4-heptoxy-N-methylbenzamide
CID 3291691
2-[(4-butoxybenzoyl)amino]oxyacetic acid
CID 60667844
N'-heptanoyl-4-(3-methylbutoxy)benzohydrazide
CID 54789257
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]urea
CID 94496970
7-[4-(4-aminophenyl)phenoxy]-N-hydroxyheptanamide
CID 89208200
[(4-octoxybenzoyl)amino]thiourea
CID 86177664

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide?
The IUPAC name of 4-hexoxy-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide (CID 90681613) is 4-hexoxy-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide.
What is the SMILES notation for 4-hexoxy-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide?
The canonical SMILES for 4-hexoxy-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide is CCCCCCOc1ccc(C(=O)NOCCCCCC(=O)NO)cc1.
What is the InChIKey of 4-hexoxy-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide?
The InChIKey is ZKDDNRAFRGHACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O5/c1-2-3-4-7-14-25-17-12-10-16(11-13-17)19(23)21-26-15-8-5-6-9-18(22)20-24/h10-13,24H,2-9,14-15H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 4-hexoxy-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide?
4-hexoxy-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide has a molecular weight of 366.46 g/mol, XLogP of 3.37, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide is sourced from PubChem (CID 90681613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).