4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide

C16H25N3O3 — CID 3994

IUPAC4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCCCCCCC(=O)NO)cc1
InChIInChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyMXWDSZWTBOCWBK-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.94
Rot. Bonds9

About 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide

4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide (PubChem CID 3994) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
PubChem CID3994
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCCCCCCC(=O)NO)cc1
InChIInChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyMXWDSZWTBOCWBK-UHFFFAOYSA-N
XLogP1.94
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.94
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 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide (CID 3994) is 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide is CN(C)c1ccc(C(=O)NCCCCCCC(=O)NO)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
The InChIKey is MXWDSZWTBOCWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide has a molecular weight of 307.39 g/mol, XLogP of 1.94, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide is sourced from PubChem (CID 3994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).