N-[6-(hydroxyamino)-6-oxohexoxy]-4-propan-2-ylbenzamide

C16H24N2O4 — CID 71520630

IUPACN-[6-(hydroxyamino)-6-oxohexoxy]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NOCCCCCC(=O)NO)cc1
InChIInChI=1S/C16H24N2O4/c1-12(2)13-7-9-14(10-8-13)16(20)18-22-11-5-3-4-6-15(19)17-21/h7-10,12,21H,3-6,11H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyPNNZNIKBLLFJJL-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.54
Rot. Bonds9

About N-[6-(hydroxyamino)-6-oxohexoxy]-4-propan-2-ylbenzamide

N-[6-(hydroxyamino)-6-oxohexoxy]-4-propan-2-ylbenzamide (PubChem CID 71520630) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[6-(hydroxyamino)-6-oxohexoxy]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[6-(hydroxyamino)-6-oxohexoxy]-4-propan-2-ylbenzamide
PubChem CID71520630
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN-[6-(hydroxyamino)-6-oxohexoxy]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NOCCCCCC(=O)NO)cc1
InChIInChI=1S/C16H24N2O4/c1-12(2)13-7-9-14(10-8-13)16(20)18-22-11-5-3-4-6-15(19)17-21/h7-10,12,21H,3-6,11H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyPNNZNIKBLLFJJL-UHFFFAOYSA-N
XLogP2.54
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.54
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-propan-2-ylbenzamide?
The IUPAC name of N-[6-(hydroxyamino)-6-oxohexoxy]-4-propan-2-ylbenzamide (CID 71520630) is N-[6-(hydroxyamino)-6-oxohexoxy]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[6-(hydroxyamino)-6-oxohexoxy]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[6-(hydroxyamino)-6-oxohexoxy]-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)NOCCCCCC(=O)NO)cc1.
What is the InChIKey of N-[6-(hydroxyamino)-6-oxohexoxy]-4-propan-2-ylbenzamide?
The InChIKey is PNNZNIKBLLFJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-12(2)13-7-9-14(10-8-13)16(20)18-22-11-5-3-4-6-15(19)17-21/h7-10,12,21H,3-6,11H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[6-(hydroxyamino)-6-oxohexoxy]-4-propan-2-ylbenzamide?
N-[6-(hydroxyamino)-6-oxohexoxy]-4-propan-2-ylbenzamide has a molecular weight of 308.38 g/mol, XLogP of 2.54, 9 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-propan-2-ylbenzamide is sourced from PubChem (CID 71520630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).