N-(2-amino-2-hydroxyiminoethyl)-N-methylbenzamide

C10H13N3O2 — CID 76928946

IUPACN-(2-amino-2-hydroxyiminoethyl)-N-methylbenzamide
SMILESCN(CC(N)=NO)C(=O)c1ccccc1
InChIInChI=1S/C10H13N3O2/c1-13(7-9(11)12-15)10(14)8-5-3-2-4-6-8/h2-6,15H,7H2,1H3,(H2,11,12)
InChIKeyLMEPJRRDVZTSHY-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.50
Rot. Bonds3

About N-(2-amino-2-hydroxyiminoethyl)-N-methylbenzamide

N-(2-amino-2-hydroxyiminoethyl)-N-methylbenzamide (PubChem CID 76928946) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N-methylbenzamide
PubChem CID76928946
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N-methylbenzamide
SMILESCN(CC(N)=NO)C(=O)c1ccccc1
InChIInChI=1S/C10H13N3O2/c1-13(7-9(11)12-15)10(14)8-5-3-2-4-6-8/h2-6,15H,7H2,1H3,(H2,11,12)
InChIKeyLMEPJRRDVZTSHY-UHFFFAOYSA-N
XLogP0.50
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-amino-2-hydroxyiminoethyl)-N,4-dimethylbenzamide
CID 76929049
N-[(2Z)-2-hydroxyimino-2-phenylethyl]-N-methylbenzamide
CID 5384608
N-(2-amino-2-hydroxyiminoethyl)-N-methyl-1-phenylpyrazole-4-carboxamide
CID 76929282
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylbenzamide
CID 76987704
N-(2-amino-2-hydroxyiminoethyl)-N-methylfuran-2-carboxamide
CID 76928863
N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-phenylsulfanylacetamide
CID 79205398
N-(2-amino-2-hydroxyiminoethyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 76929094
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-4-chloro-3-fluoro-N-methylbenzamide
CID 107992430
4-[(2-amino-2-oxoethyl)-methylcarbamoyl]benzoic acid
CID 43452627
N-[5-[benzoyl(methyl)amino]-2,4-bis(sulfanylidene)pentyl]-N-methylbenzamide
CID 58459694
2-[(4-benzoylbenzoyl)-methylamino]acetic acid
CID 175926821
N-(2-aminoethyl)-N-methylbenzamide
CID 28707416

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-methylbenzamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-methylbenzamide (CID 76928946) is N-(2-amino-2-hydroxyiminoethyl)-N-methylbenzamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N-methylbenzamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N-methylbenzamide is CN(CC(N)=NO)C(=O)c1ccccc1.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N-methylbenzamide?
The InChIKey is LMEPJRRDVZTSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-13(7-9(11)12-15)10(14)8-5-3-2-4-6-8/h2-6,15H,7H2,1H3,(H2,11,12).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N-methylbenzamide?
N-(2-amino-2-hydroxyiminoethyl)-N-methylbenzamide has a molecular weight of 207.23 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-N-methylbenzamide is sourced from PubChem (CID 76928946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).