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

C14H20N2O4 — CID 71520632

IUPACN-[6-(hydroxyamino)-6-oxohexoxy]-4-methylbenzamide
SMILESCc1ccc(C(=O)NOCCCCCC(=O)NO)cc1
InChIInChI=1S/C14H20N2O4/c1-11-6-8-12(9-7-11)14(18)16-20-10-4-2-3-5-13(17)15-19/h6-9,19H,2-5,10H2,1H3,(H,15,17)(H,16,18)
InChIKeyKSELTWUCOQECFS-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.72
Rot. Bonds8

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

N-[6-(hydroxyamino)-6-oxohexoxy]-4-methylbenzamide (PubChem CID 71520632) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-[6-(hydroxyamino)-6-oxohexoxy]-4-methylbenzamide.

Molecular Properties

Compound NameN-[6-(hydroxyamino)-6-oxohexoxy]-4-methylbenzamide
PubChem CID71520632
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-[6-(hydroxyamino)-6-oxohexoxy]-4-methylbenzamide
SMILESCc1ccc(C(=O)NOCCCCCC(=O)NO)cc1
InChIInChI=1S/C14H20N2O4/c1-11-6-8-12(9-7-11)14(18)16-20-10-4-2-3-5-13(17)15-19/h6-9,19H,2-5,10H2,1H3,(H,15,17)(H,16,18)
InChIKeyKSELTWUCOQECFS-UHFFFAOYSA-N
XLogP1.72
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.72
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(hydroxyamino)-6-oxohexoxy]-4-methylbenzamide?
The IUPAC name of N-[6-(hydroxyamino)-6-oxohexoxy]-4-methylbenzamide (CID 71520632) is N-[6-(hydroxyamino)-6-oxohexoxy]-4-methylbenzamide.
What is the SMILES notation for N-[6-(hydroxyamino)-6-oxohexoxy]-4-methylbenzamide?
The canonical SMILES for N-[6-(hydroxyamino)-6-oxohexoxy]-4-methylbenzamide is Cc1ccc(C(=O)NOCCCCCC(=O)NO)cc1.
What is the InChIKey of N-[6-(hydroxyamino)-6-oxohexoxy]-4-methylbenzamide?
The InChIKey is KSELTWUCOQECFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-11-6-8-12(9-7-11)14(18)16-20-10-4-2-3-5-13(17)15-19/h6-9,19H,2-5,10H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[6-(hydroxyamino)-6-oxohexoxy]-4-methylbenzamide?
N-[6-(hydroxyamino)-6-oxohexoxy]-4-methylbenzamide has a molecular weight of 280.32 g/mol, XLogP of 1.72, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(hydroxyamino)-6-oxohexoxy]-4-methylbenzamide is sourced from PubChem (CID 71520632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).