N-[[7-(hydroxyamino)-7-oxoheptyl]carbamoyl]benzamide

C15H21N3O4 — CID 11426781

IUPACN-[[7-(hydroxyamino)-7-oxoheptyl]carbamoyl]benzamide
SMILESO=C(CCCCCCNC(=O)NC(=O)c1ccccc1)NO
InChIInChI=1S/C15H21N3O4/c19-13(18-22)10-6-1-2-7-11-16-15(21)17-14(20)12-8-4-3-5-9-12/h3-5,8-9,22H,1-2,6-7,10-11H2,(H,18,19)(H2,16,17,20,21)
InChIKeyXEBCJLKRZJZBNT-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.58
Rot. Bonds8

About N-[[7-(hydroxyamino)-7-oxoheptyl]carbamoyl]benzamide

N-[[7-(hydroxyamino)-7-oxoheptyl]carbamoyl]benzamide (PubChem CID 11426781) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[[7-(hydroxyamino)-7-oxoheptyl]carbamoyl]benzamide.

Molecular Properties

Compound NameN-[[7-(hydroxyamino)-7-oxoheptyl]carbamoyl]benzamide
PubChem CID11426781
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC NameN-[[7-(hydroxyamino)-7-oxoheptyl]carbamoyl]benzamide
SMILESO=C(CCCCCCNC(=O)NC(=O)c1ccccc1)NO
InChIInChI=1S/C15H21N3O4/c19-13(18-22)10-6-1-2-7-11-16-15(21)17-14(20)12-8-4-3-5-9-12/h3-5,8-9,22H,1-2,6-7,10-11H2,(H,18,19)(H2,16,17,20,21)
InChIKeyXEBCJLKRZJZBNT-UHFFFAOYSA-N
XLogP1.58
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.58
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-[[7-(hydroxyamino)-7-oxoheptyl]carbamoyl]benzamide?
The IUPAC name of N-[[7-(hydroxyamino)-7-oxoheptyl]carbamoyl]benzamide (CID 11426781) is N-[[7-(hydroxyamino)-7-oxoheptyl]carbamoyl]benzamide.
What is the SMILES notation for N-[[7-(hydroxyamino)-7-oxoheptyl]carbamoyl]benzamide?
The canonical SMILES for N-[[7-(hydroxyamino)-7-oxoheptyl]carbamoyl]benzamide is O=C(CCCCCCNC(=O)NC(=O)c1ccccc1)NO.
What is the InChIKey of N-[[7-(hydroxyamino)-7-oxoheptyl]carbamoyl]benzamide?
The InChIKey is XEBCJLKRZJZBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c19-13(18-22)10-6-1-2-7-11-16-15(21)17-14(20)12-8-4-3-5-9-12/h3-5,8-9,22H,1-2,6-7,10-11H2,(H,18,19)(H2,16,17,20,21).
What are the key properties of N-[[7-(hydroxyamino)-7-oxoheptyl]carbamoyl]benzamide?
N-[[7-(hydroxyamino)-7-oxoheptyl]carbamoyl]benzamide has a molecular weight of 307.35 g/mol, XLogP of 1.58, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(hydroxyamino)-7-oxoheptyl]carbamoyl]benzamide is sourced from PubChem (CID 11426781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).