N-[6-(hydroxyamino)-6-oxohexoxy]-4-propoxybenzamide

C16H24N2O5 — CID 90681607

IUPACN-[6-(hydroxyamino)-6-oxohexoxy]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NOCCCCCC(=O)NO)cc1
InChIInChI=1S/C16H24N2O5/c1-2-11-22-14-9-7-13(8-10-14)16(20)18-23-12-5-3-4-6-15(19)17-21/h7-10,21H,2-6,11-12H2,1H3,(H,17,19)(H,18,20)
InChIKeyDOBXJEIULLBRRD-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.20
Rot. Bonds11

About N-[6-(hydroxyamino)-6-oxohexoxy]-4-propoxybenzamide

N-[6-(hydroxyamino)-6-oxohexoxy]-4-propoxybenzamide (PubChem CID 90681607) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[6-(hydroxyamino)-6-oxohexoxy]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[6-(hydroxyamino)-6-oxohexoxy]-4-propoxybenzamide
PubChem CID90681607
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC NameN-[6-(hydroxyamino)-6-oxohexoxy]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NOCCCCCC(=O)NO)cc1
InChIInChI=1S/C16H24N2O5/c1-2-11-22-14-9-7-13(8-10-14)16(20)18-23-12-5-3-4-6-15(19)17-21/h7-10,21H,2-6,11-12H2,1H3,(H,17,19)(H,18,20)
InChIKeyDOBXJEIULLBRRD-UHFFFAOYSA-N
XLogP2.20
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.20
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

4-hexoxy-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide
CID 90681613
N-[6-(hydroxyamino)-6-oxohexoxy]benzamide
CID 71520627
4-dodecoxy-N-tridecanoylbenzamide
CID 14273876
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
2-[(4-butoxybenzoyl)amino]oxyacetic acid
CID 60667844
7-[4-(4-aminophenyl)phenoxy]-N-hydroxyheptanamide
CID 89208200
4-pentoxybenzohydrazide
CID 2727702
4-heptoxy-N-methylbenzamide
CID 3291691
N'-heptanoyl-4-(3-methylbutoxy)benzohydrazide
CID 54789257
N-[3-(hexanoylamino)phenyl]-4-propoxybenzamide
CID 26161290
N-butyl-4-propoxybenzamide
CID 17142951
2-fluoro-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide
CID 90681615

Frequently Asked Questions

What is the IUPAC name of N-[6-(hydroxyamino)-6-oxohexoxy]-4-propoxybenzamide?
The IUPAC name of N-[6-(hydroxyamino)-6-oxohexoxy]-4-propoxybenzamide (CID 90681607) is N-[6-(hydroxyamino)-6-oxohexoxy]-4-propoxybenzamide.
What is the SMILES notation for N-[6-(hydroxyamino)-6-oxohexoxy]-4-propoxybenzamide?
The canonical SMILES for N-[6-(hydroxyamino)-6-oxohexoxy]-4-propoxybenzamide is CCCOc1ccc(C(=O)NOCCCCCC(=O)NO)cc1.
What is the InChIKey of N-[6-(hydroxyamino)-6-oxohexoxy]-4-propoxybenzamide?
The InChIKey is DOBXJEIULLBRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-2-11-22-14-9-7-13(8-10-14)16(20)18-23-12-5-3-4-6-15(19)17-21/h7-10,21H,2-6,11-12H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[6-(hydroxyamino)-6-oxohexoxy]-4-propoxybenzamide?
N-[6-(hydroxyamino)-6-oxohexoxy]-4-propoxybenzamide has a molecular weight of 324.38 g/mol, XLogP of 2.20, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(hydroxyamino)-6-oxohexoxy]-4-propoxybenzamide is sourced from PubChem (CID 90681607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).