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

C15H23N3O3 — CID 122548362

IUPACN-[7-(hydroxyamino)-7-oxoheptyl]-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)NCCCCCCC(=O)NO)cc1
InChIInChI=1S/C15H23N3O3/c1-16-13-9-7-12(8-10-13)15(20)17-11-5-3-2-4-6-14(19)18-21/h7-10,16,21H,2-6,11H2,1H3,(H,17,20)(H,18,19)
InChIKeyUUYURUWEWRWZOR-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.91
Rot. Bonds9

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

N-[7-(hydroxyamino)-7-oxoheptyl]-4-(methylamino)benzamide (PubChem CID 122548362) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[7-(hydroxyamino)-7-oxoheptyl]-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-[7-(hydroxyamino)-7-oxoheptyl]-4-(methylamino)benzamide
PubChem CID122548362
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[7-(hydroxyamino)-7-oxoheptyl]-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)NCCCCCCC(=O)NO)cc1
InChIInChI=1S/C15H23N3O3/c1-16-13-9-7-12(8-10-13)15(20)17-11-5-3-2-4-6-14(19)18-21/h7-10,16,21H,2-6,11H2,1H3,(H,17,20)(H,18,19)
InChIKeyUUYURUWEWRWZOR-UHFFFAOYSA-N
XLogP1.91
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.91
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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Related Compounds

4-(dimethylamino)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide
CID 3811
N-hydroxy-4-[[2-[4-(methylamino)phenyl]acetyl]amino]butanamide
CID 142131236
4-(4-chlorophenyl)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide
CID 10133172
N-[7-(hydroxyamino)-7-oxoheptyl]-4-(4-methoxy-N-(4-methoxyphenyl)anilino)benzamide
CID 53340782
4-(decanoylamino)-N-nonylbenzamide
CID 3464563
4-(methylamino)-N-(4-methylsulfanylbutyl)benzamide
CID 113488238
4-(dimethylamino)-N-[6-(methylamino)-6-oxohexyl]benzamide
CID 10039928
3-[[4-(methylamino)benzoyl]amino]propanoic acid
CID 119092205
N-[6-(hydroxyamino)-6-oxohexyl]-4-piperidin-1-ylbenzamide
CID 59561797
N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide
CID 17195940
N-[6-(hydroxyamino)-6-oxohexyl]-2-methoxyquinoline-6-carboxamide
CID 86581151
N-[2-(carbamoylamino)ethyl]-4-(methylamino)benzamide
CID 83114529

Frequently Asked Questions

What is the IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-4-(methylamino)benzamide?
The IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-4-(methylamino)benzamide (CID 122548362) is N-[7-(hydroxyamino)-7-oxoheptyl]-4-(methylamino)benzamide.
What is the SMILES notation for N-[7-(hydroxyamino)-7-oxoheptyl]-4-(methylamino)benzamide?
The canonical SMILES for N-[7-(hydroxyamino)-7-oxoheptyl]-4-(methylamino)benzamide is CNc1ccc(C(=O)NCCCCCCC(=O)NO)cc1.
What is the InChIKey of N-[7-(hydroxyamino)-7-oxoheptyl]-4-(methylamino)benzamide?
The InChIKey is UUYURUWEWRWZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-16-13-9-7-12(8-10-13)15(20)17-11-5-3-2-4-6-14(19)18-21/h7-10,16,21H,2-6,11H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[7-(hydroxyamino)-7-oxoheptyl]-4-(methylamino)benzamide?
N-[7-(hydroxyamino)-7-oxoheptyl]-4-(methylamino)benzamide has a molecular weight of 293.37 g/mol, XLogP of 1.91, 9 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]-4-(methylamino)benzamide is sourced from PubChem (CID 122548362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).