N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide

C14H19N3O4 — CID 11449246

IUPACN-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide
SMILESO=C(CCCCCNC(=O)NC(=O)c1ccccc1)NO
InChIInChI=1S/C14H19N3O4/c18-12(17-21)9-5-2-6-10-15-14(20)16-13(19)11-7-3-1-4-8-11/h1,3-4,7-8,21H,2,5-6,9-10H2,(H,17,18)(H2,15,16,19,20)
InChIKeyVQLQZMGNGMOMPU-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.19
Rot. Bonds7

About N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide

N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide (PubChem CID 11449246) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide.

Molecular Properties

Compound NameN-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide
PubChem CID11449246
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide
SMILESO=C(CCCCCNC(=O)NC(=O)c1ccccc1)NO
InChIInChI=1S/C14H19N3O4/c18-12(17-21)9-5-2-6-10-15-14(20)16-13(19)11-7-3-1-4-8-11/h1,3-4,7-8,21H,2,5-6,9-10H2,(H,17,18)(H2,15,16,19,20)
InChIKeyVQLQZMGNGMOMPU-UHFFFAOYSA-N
XLogP1.19
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.19
H-Bond Donors ≤ 54
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-oxohexyl]carbamoyl]benzamide?
The IUPAC name of N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide (CID 11449246) is N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide.
What is the SMILES notation for N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide?
The canonical SMILES for N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide is O=C(CCCCCNC(=O)NC(=O)c1ccccc1)NO.
What is the InChIKey of N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide?
The InChIKey is VQLQZMGNGMOMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c18-12(17-21)9-5-2-6-10-15-14(20)16-13(19)11-7-3-1-4-8-11/h1,3-4,7-8,21H,2,5-6,9-10H2,(H,17,18)(H2,15,16,19,20).
What are the key properties of N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide?
N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide has a molecular weight of 293.32 g/mol, XLogP of 1.19, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide is sourced from PubChem (CID 11449246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).