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

C18H29N3O3 — CID 46199074

IUPAC4-(diethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
SMILESCCN(CC)c1ccc(C(=O)NCCCCCCC(=O)NO)cc1
InChIInChI=1S/C18H29N3O3/c1-3-21(4-2)16-12-10-15(11-13-16)18(23)19-14-8-6-5-7-9-17(22)20-24/h10-13,24H,3-9,14H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyUHGRQAFMGAZNTK-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.72
Rot. Bonds11

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

4-(diethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide (PubChem CID 46199074) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-(diethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
PubChem CID46199074
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name4-(diethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
SMILESCCN(CC)c1ccc(C(=O)NCCCCCCC(=O)NO)cc1
InChIInChI=1S/C18H29N3O3/c1-3-21(4-2)16-12-10-15(11-13-16)18(23)19-14-8-6-5-7-9-17(22)20-24/h10-13,24H,3-9,14H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyUHGRQAFMGAZNTK-UHFFFAOYSA-N
XLogP2.72
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.72
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-(diethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
The IUPAC name of 4-(diethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide (CID 46199074) is 4-(diethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide.
What is the SMILES notation for 4-(diethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
The canonical SMILES for 4-(diethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide is CCN(CC)c1ccc(C(=O)NCCCCCCC(=O)NO)cc1.
What is the InChIKey of 4-(diethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
The InChIKey is UHGRQAFMGAZNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-3-21(4-2)16-12-10-15(11-13-16)18(23)19-14-8-6-5-7-9-17(22)20-24/h10-13,24H,3-9,14H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 4-(diethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
4-(diethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide has a molecular weight of 335.45 g/mol, XLogP of 2.72, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide is sourced from PubChem (CID 46199074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).