N-(2-amino-2-hydroxyiminoethyl)-2-hydroxy-N,5-dimethylbenzamide

C11H15N3O3 — CID 76928817

IUPACN-(2-amino-2-hydroxyiminoethyl)-2-hydroxy-N,5-dimethylbenzamide
SMILESCc1ccc(O)c(C(=O)N(C)CC(N)=NO)c1
InChIInChI=1S/C11H15N3O3/c1-7-3-4-9(15)8(5-7)11(16)14(2)6-10(12)13-17/h3-5,15,17H,6H2,1-2H3,(H2,12,13)
InChIKeyHOTBEWJZTTYBGU-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.52
Rot. Bonds3

About N-(2-amino-2-hydroxyiminoethyl)-2-hydroxy-N,5-dimethylbenzamide

N-(2-amino-2-hydroxyiminoethyl)-2-hydroxy-N,5-dimethylbenzamide (PubChem CID 76928817) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-2-hydroxy-N,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-2-hydroxy-N,5-dimethylbenzamide
PubChem CID76928817
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-2-hydroxy-N,5-dimethylbenzamide
SMILESCc1ccc(O)c(C(=O)N(C)CC(N)=NO)c1
InChIInChI=1S/C11H15N3O3/c1-7-3-4-9(15)8(5-7)11(16)14(2)6-10(12)13-17/h3-5,15,17H,6H2,1-2H3,(H2,12,13)
InChIKeyHOTBEWJZTTYBGU-UHFFFAOYSA-N
XLogP0.52
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.52
H-Bond Donors ≤ 53
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

2-hydroxy-N,5-dimethyl-N-(2-methylprop-2-enyl)benzamide
CID 115968436
N-(2-amino-2-hydroxyiminoethyl)-N,4-dimethylbenzamide
CID 76929049
2-hydroxy-N-(2-hydroxyethyl)-N,5-dimethylbenzamide
CID 60652527
2-hydroxy-N,5-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 47140666
N-(2,2-difluoroethyl)-2-hydroxy-N,5-dimethylbenzamide
CID 115611587
N-(2-amino-2-hydroxyiminoethyl)-5-chloro-2-methoxy-N-methylbenzamide
CID 76928902
2-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,5-dimethylbenzamide
CID 63929949
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-5-bromo-2-iodo-N-methylbenzamide
CID 114032684
1-(2-amino-2-hydroxyiminoethyl)-1-methyl-3-(3-methylphenyl)urea
CID 76929111
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-bromo-4-chloro-N-methylbenzamide
CID 107992431
N-(2-amino-2-hydroxyiminoethyl)-N-methylbenzamide
CID 76928946
N-[(4-bromophenyl)methyl]-2-hydroxy-N,5-dimethylbenzamide
CID 42987430

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-2-hydroxy-N,5-dimethylbenzamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-2-hydroxy-N,5-dimethylbenzamide (CID 76928817) is N-(2-amino-2-hydroxyiminoethyl)-2-hydroxy-N,5-dimethylbenzamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-2-hydroxy-N,5-dimethylbenzamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-2-hydroxy-N,5-dimethylbenzamide is Cc1ccc(O)c(C(=O)N(C)CC(N)=NO)c1.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-2-hydroxy-N,5-dimethylbenzamide?
The InChIKey is HOTBEWJZTTYBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7-3-4-9(15)8(5-7)11(16)14(2)6-10(12)13-17/h3-5,15,17H,6H2,1-2H3,(H2,12,13).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-2-hydroxy-N,5-dimethylbenzamide?
N-(2-amino-2-hydroxyiminoethyl)-2-hydroxy-N,5-dimethylbenzamide has a molecular weight of 237.26 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-2-hydroxy-N,5-dimethylbenzamide is sourced from PubChem (CID 76928817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).