N-[[8-(hydroxyamino)-8-oxooctyl]carbamoyl]benzamide

C16H23N3O4 — CID 11381650

IUPACN-[[8-(hydroxyamino)-8-oxooctyl]carbamoyl]benzamide
SMILESO=C(CCCCCCCNC(=O)NC(=O)c1ccccc1)NO
InChIInChI=1S/C16H23N3O4/c20-14(19-23)11-7-2-1-3-8-12-17-16(22)18-15(21)13-9-5-4-6-10-13/h4-6,9-10,23H,1-3,7-8,11-12H2,(H,19,20)(H2,17,18,21,22)
InChIKeyWUKFQTZVXXYEAB-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.97
Rot. Bonds9

About N-[[8-(hydroxyamino)-8-oxooctyl]carbamoyl]benzamide

N-[[8-(hydroxyamino)-8-oxooctyl]carbamoyl]benzamide (PubChem CID 11381650) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[[8-(hydroxyamino)-8-oxooctyl]carbamoyl]benzamide.

Molecular Properties

Compound NameN-[[8-(hydroxyamino)-8-oxooctyl]carbamoyl]benzamide
PubChem CID11381650
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC NameN-[[8-(hydroxyamino)-8-oxooctyl]carbamoyl]benzamide
SMILESO=C(CCCCCCCNC(=O)NC(=O)c1ccccc1)NO
InChIInChI=1S/C16H23N3O4/c20-14(19-23)11-7-2-1-3-8-12-17-16(22)18-15(21)13-9-5-4-6-10-13/h4-6,9-10,23H,1-3,7-8,11-12H2,(H,19,20)(H2,17,18,21,22)
InChIKeyWUKFQTZVXXYEAB-UHFFFAOYSA-N
XLogP1.97
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.97
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-[[8-(hydroxyamino)-8-oxooctyl]carbamoyl]benzamide?
The IUPAC name of N-[[8-(hydroxyamino)-8-oxooctyl]carbamoyl]benzamide (CID 11381650) is N-[[8-(hydroxyamino)-8-oxooctyl]carbamoyl]benzamide.
What is the SMILES notation for N-[[8-(hydroxyamino)-8-oxooctyl]carbamoyl]benzamide?
The canonical SMILES for N-[[8-(hydroxyamino)-8-oxooctyl]carbamoyl]benzamide is O=C(CCCCCCCNC(=O)NC(=O)c1ccccc1)NO.
What is the InChIKey of N-[[8-(hydroxyamino)-8-oxooctyl]carbamoyl]benzamide?
The InChIKey is WUKFQTZVXXYEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c20-14(19-23)11-7-2-1-3-8-12-17-16(22)18-15(21)13-9-5-4-6-10-13/h4-6,9-10,23H,1-3,7-8,11-12H2,(H,19,20)(H2,17,18,21,22).
What are the key properties of N-[[8-(hydroxyamino)-8-oxooctyl]carbamoyl]benzamide?
N-[[8-(hydroxyamino)-8-oxooctyl]carbamoyl]benzamide has a molecular weight of 321.38 g/mol, XLogP of 1.97, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-(hydroxyamino)-8-oxooctyl]carbamoyl]benzamide is sourced from PubChem (CID 11381650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).