N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-hydroxy-3-methylbenzamide

C12H17N3O3 — CID 76952616

IUPACN-(3-amino-3-hydroxyimino-2-methylpropyl)-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(C)C(N)=NO)c1O
InChIInChI=1S/C12H17N3O3/c1-7-4-3-5-9(10(7)16)12(17)14-6-8(2)11(13)15-18/h3-5,8,16,18H,6H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyFHHCFGXDYQLQJH-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.81
Rot. Bonds4

About N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-hydroxy-3-methylbenzamide

N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-hydroxy-3-methylbenzamide (PubChem CID 76952616) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-2-hydroxy-3-methylbenzamide
PubChem CID76952616
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(C)C(N)=NO)c1O
InChIInChI=1S/C12H17N3O3/c1-7-4-3-5-9(10(7)16)12(17)14-6-8(2)11(13)15-18/h3-5,8,16,18H,6H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyFHHCFGXDYQLQJH-UHFFFAOYSA-N
XLogP0.81
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(3-amino-3-hydroxyimino-2-methylpropyl)-2-methylsulfanylbenzamide
CID 79205826
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]quinoxaline-5-carboxamide
CID 104615583
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-fluoro-4-hydroxybenzamide
CID 107677312
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-bromo-6-fluorobenzamide
CID 114560779
N-(2,2-dimethoxyethyl)-2-hydroxy-3-methylbenzamide
CID 60653247
N-(2-cyclopropylpropyl)-2-hydroxy-3-methylbenzamide
CID 115591208
N-(3-amino-3-hydroxyimino-2-methylpropyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102802153
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-iodobenzamide
CID 76952996
N-(3-amino-3-hydroxyimino-2-methylpropyl)furan-2-carboxamide
CID 76952760
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-chloro-4-methylbenzamide
CID 76988296
N-(3-amino-3-hydroxyimino-2-methylpropyl)-1,5-dimethylpyrazole-4-carboxamide
CID 76952766
2-hydroxy-N-(2-hydroxypentyl)-3-methylbenzamide
CID 113268457

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-hydroxy-3-methylbenzamide (CID 76952616) is N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-hydroxy-3-methylbenzamide is Cc1cccc(C(=O)NCC(C)C(N)=NO)c1O.
What is the InChIKey of N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-hydroxy-3-methylbenzamide?
The InChIKey is FHHCFGXDYQLQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7-4-3-5-9(10(7)16)12(17)14-6-8(2)11(13)15-18/h3-5,8,16,18H,6H2,1-2H3,(H2,13,15)(H,14,17).
What are the key properties of N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-hydroxy-3-methylbenzamide?
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-hydroxy-3-methylbenzamide has a molecular weight of 251.29 g/mol, XLogP of 0.81, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 76952616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).