4-(dimethylamino)-N-[6-(hydroxyamino)-5-methyl-6-oxohexyl]benzamide

C16H25N3O3 — CID 87895135

IUPAC4-(dimethylamino)-N-[6-(hydroxyamino)-5-methyl-6-oxohexyl]benzamide
SMILESCC(CCCCNC(=O)c1ccc(N(C)C)cc1)C(=O)NO
InChIInChI=1S/C16H25N3O3/c1-12(15(20)18-22)6-4-5-11-17-16(21)13-7-9-14(10-8-13)19(2)3/h7-10,12,22H,4-6,11H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyNLMWXRBUMZVKOV-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.79
Rot. Bonds8

About 4-(dimethylamino)-N-[6-(hydroxyamino)-5-methyl-6-oxohexyl]benzamide

4-(dimethylamino)-N-[6-(hydroxyamino)-5-methyl-6-oxohexyl]benzamide (PubChem CID 87895135) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[6-(hydroxyamino)-5-methyl-6-oxohexyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[6-(hydroxyamino)-5-methyl-6-oxohexyl]benzamide
PubChem CID87895135
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name4-(dimethylamino)-N-[6-(hydroxyamino)-5-methyl-6-oxohexyl]benzamide
SMILESCC(CCCCNC(=O)c1ccc(N(C)C)cc1)C(=O)NO
InChIInChI=1S/C16H25N3O3/c1-12(15(20)18-22)6-4-5-11-17-16(21)13-7-9-14(10-8-13)19(2)3/h7-10,12,22H,4-6,11H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyNLMWXRBUMZVKOV-UHFFFAOYSA-N
XLogP1.79
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.79
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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Related Compounds

5-[[4-(dimethylamino)benzoyl]amino]-2-methylpentanoic acid
CID 104682533
4-(dimethylamino)-N-(4-hydroxypentyl)benzamide
CID 107329726
4-(dimethylamino)-N-pentylbenzamide
CID 21064504
4-(dimethylamino)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide
CID 3811
4-(dimethylamino)-N-heptylbenzamide
CID 86046283
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888
4-[[4-(dimethylamino)benzoyl]amino]butanoic acid
CID 10658325
4-(dimethylamino)-N-[6-(methylamino)-6-oxohexyl]benzamide
CID 10039928
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
4-N-[4-(dimethylamino)phenyl]-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048766
4-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 27647106
3-[4-(dimethylamino)phenyl]-N-hydroxy-2-methylpropanamide
CID 20684753

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[6-(hydroxyamino)-5-methyl-6-oxohexyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[6-(hydroxyamino)-5-methyl-6-oxohexyl]benzamide (CID 87895135) is 4-(dimethylamino)-N-[6-(hydroxyamino)-5-methyl-6-oxohexyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[6-(hydroxyamino)-5-methyl-6-oxohexyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[6-(hydroxyamino)-5-methyl-6-oxohexyl]benzamide is CC(CCCCNC(=O)c1ccc(N(C)C)cc1)C(=O)NO.
What is the InChIKey of 4-(dimethylamino)-N-[6-(hydroxyamino)-5-methyl-6-oxohexyl]benzamide?
The InChIKey is NLMWXRBUMZVKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-12(15(20)18-22)6-4-5-11-17-16(21)13-7-9-14(10-8-13)19(2)3/h7-10,12,22H,4-6,11H2,1-3H3,(H,17,21)(H,18,20).
What are the key properties of 4-(dimethylamino)-N-[6-(hydroxyamino)-5-methyl-6-oxohexyl]benzamide?
4-(dimethylamino)-N-[6-(hydroxyamino)-5-methyl-6-oxohexyl]benzamide has a molecular weight of 307.39 g/mol, XLogP of 1.79, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[6-(hydroxyamino)-5-methyl-6-oxohexyl]benzamide is sourced from PubChem (CID 87895135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).