N-(5-amino-5-hydroxyiminopentyl)-3-hydroxy-4-methoxybenzamide

C13H19N3O4 — CID 79733246

IUPACN-(5-amino-5-hydroxyiminopentyl)-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCCC(N)=NO)cc1O
InChIInChI=1S/C13H19N3O4/c1-20-11-6-5-9(8-10(11)17)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)
InChIKeyPPXLWRWKFPNAGT-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.05
Rot. Bonds7

About N-(5-amino-5-hydroxyiminopentyl)-3-hydroxy-4-methoxybenzamide

N-(5-amino-5-hydroxyiminopentyl)-3-hydroxy-4-methoxybenzamide (PubChem CID 79733246) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(5-amino-5-hydroxyiminopentyl)-3-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(5-amino-5-hydroxyiminopentyl)-3-hydroxy-4-methoxybenzamide
PubChem CID79733246
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC NameN-(5-amino-5-hydroxyiminopentyl)-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCCC(N)=NO)cc1O
InChIInChI=1S/C13H19N3O4/c1-20-11-6-5-9(8-10(11)17)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)
InChIKeyPPXLWRWKFPNAGT-UHFFFAOYSA-N
XLogP1.05
TPSA117.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-(5-amino-5-hydroxyiminopentyl)-3,4-dimethylbenzamide
CID 77036912
N-(4-aminopentyl)-3-hydroxy-4-methoxybenzamide
CID 106122205
N-[3-(2-aminoethoxy)propyl]-3-hydroxy-4-methoxybenzamide
CID 106307767
N-(4-amino-4-hydroxyiminobutyl)-4-methylbenzamide
CID 76947565
3-amino-N-(4-amino-4-oxobutyl)-4-methoxybenzamide
CID 60864435
N-(3-amino-3-hydroxyiminopropyl)-3,4,5-trimethoxybenzamide
CID 76952749
N-(5-amino-5-hydroxyiminopentyl)-2,3-dimethoxybenzamide
CID 77036754
N-ethyl-3-hydroxy-4-methoxybenzamide
CID 79600193
N-(5-amino-5-hydroxyiminopentyl)quinoxaline-6-carboxamide
CID 77036760
N-[2-(ethylamino)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79733239
3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide
CID 79600016
6-[(4-hydroxy-3-methoxybenzoyl)amino]hexanoic acid
CID 54200792

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-hydroxyiminopentyl)-3-hydroxy-4-methoxybenzamide?
The IUPAC name of N-(5-amino-5-hydroxyiminopentyl)-3-hydroxy-4-methoxybenzamide (CID 79733246) is N-(5-amino-5-hydroxyiminopentyl)-3-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-(5-amino-5-hydroxyiminopentyl)-3-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-(5-amino-5-hydroxyiminopentyl)-3-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)NCCCCC(N)=NO)cc1O.
What is the InChIKey of N-(5-amino-5-hydroxyiminopentyl)-3-hydroxy-4-methoxybenzamide?
The InChIKey is PPXLWRWKFPNAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-20-11-6-5-9(8-10(11)17)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)-3-hydroxy-4-methoxybenzamide?
N-(5-amino-5-hydroxyiminopentyl)-3-hydroxy-4-methoxybenzamide has a molecular weight of 281.31 g/mol, XLogP of 1.05, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-hydroxyiminopentyl)-3-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 79733246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).