N-(5-amino-5-hydroxyiminopentyl)-2-hydroxy-4-methylbenzamide

C13H19N3O3 — CID 77036728

IUPACN-(5-amino-5-hydroxyiminopentyl)-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCCCC(N)=NO)c(O)c1
InChIInChI=1S/C13H19N3O3/c1-9-5-6-10(11(17)8-9)13(18)15-7-3-2-4-12(14)16-19/h5-6,8,17,19H,2-4,7H2,1H3,(H2,14,16)(H,15,18)
InChIKeyXYXGFZVALQTJTI-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.35
Rot. Bonds6

About N-(5-amino-5-hydroxyiminopentyl)-2-hydroxy-4-methylbenzamide

N-(5-amino-5-hydroxyiminopentyl)-2-hydroxy-4-methylbenzamide (PubChem CID 77036728) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(5-amino-5-hydroxyiminopentyl)-2-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(5-amino-5-hydroxyiminopentyl)-2-hydroxy-4-methylbenzamide
PubChem CID77036728
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-(5-amino-5-hydroxyiminopentyl)-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCCCC(N)=NO)c(O)c1
InChIInChI=1S/C13H19N3O3/c1-9-5-6-10(11(17)8-9)13(18)15-7-3-2-4-12(14)16-19/h5-6,8,17,19H,2-4,7H2,1H3,(H2,14,16)(H,15,18)
InChIKeyXYXGFZVALQTJTI-UHFFFAOYSA-N
XLogP1.35
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(5E)-5-amino-5-hydroxyiminopentyl]-2,4-dihydroxybenzamide
CID 107725672
2-hydroxy-4-methyl-N-octylbenzamide
CID 115568594
N-(6-bromohexyl)-2-hydroxy-4-methylbenzamide
CID 107847815
N-(5-amino-5-hydroxyiminopentyl)-2,4-difluorobenzamide
CID 77036797
N-(4-amino-4-hydroxyiminobutyl)-4-methylbenzamide
CID 76947565
N-(5-amino-5-hydroxyiminopentyl)-3,4-dimethylbenzamide
CID 77036912
N-[(4Z)-4-amino-4-hydroxyiminobutyl]-2-(2,5-dimethylphenyl)acetamide
CID 55102069
N-(5-amino-5-hydroxyiminopentyl)-2-bromo-4-fluorobenzamide
CID 77036778
N-[(5Z)-5-amino-5-hydroxyiminopentyl]-2-bromo-3-methylbenzamide
CID 107983695
N-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethyl]-4-methylbenzamide
CID 77026876
N-[(4E)-4-amino-4-hydroxyiminobutyl]-3-hydroxypyridine-4-carboxamide
CID 81443542
N-(5-amino-5-hydroxyiminopentyl)-3-hydroxy-4-methoxybenzamide
CID 79733246

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-hydroxyiminopentyl)-2-hydroxy-4-methylbenzamide?
The IUPAC name of N-(5-amino-5-hydroxyiminopentyl)-2-hydroxy-4-methylbenzamide (CID 77036728) is N-(5-amino-5-hydroxyiminopentyl)-2-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-(5-amino-5-hydroxyiminopentyl)-2-hydroxy-4-methylbenzamide?
The canonical SMILES for N-(5-amino-5-hydroxyiminopentyl)-2-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NCCCCC(N)=NO)c(O)c1.
What is the InChIKey of N-(5-amino-5-hydroxyiminopentyl)-2-hydroxy-4-methylbenzamide?
The InChIKey is XYXGFZVALQTJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-5-6-10(11(17)8-9)13(18)15-7-3-2-4-12(14)16-19/h5-6,8,17,19H,2-4,7H2,1H3,(H2,14,16)(H,15,18).
What are the key properties of N-(5-amino-5-hydroxyiminopentyl)-2-hydroxy-4-methylbenzamide?
N-(5-amino-5-hydroxyiminopentyl)-2-hydroxy-4-methylbenzamide has a molecular weight of 265.31 g/mol, XLogP of 1.35, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-hydroxyiminopentyl)-2-hydroxy-4-methylbenzamide is sourced from PubChem (CID 77036728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).