N-(2-amino-2-hydroxyiminoethyl)-N,4-dimethylbenzamide

C11H15N3O2 — CID 76929049

IUPACN-(2-amino-2-hydroxyiminoethyl)-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CC(N)=NO)cc1
InChIInChI=1S/C11H15N3O2/c1-8-3-5-9(6-4-8)11(15)14(2)7-10(12)13-16/h3-6,16H,7H2,1-2H3,(H2,12,13)
InChIKeyDHZPRCIUKVBXBJ-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.81
Rot. Bonds3

About N-(2-amino-2-hydroxyiminoethyl)-N,4-dimethylbenzamide

N-(2-amino-2-hydroxyiminoethyl)-N,4-dimethylbenzamide (PubChem CID 76929049) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N,4-dimethylbenzamide
PubChem CID76929049
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CC(N)=NO)cc1
InChIInChI=1S/C11H15N3O2/c1-8-3-5-9(6-4-8)11(15)14(2)7-10(12)13-16/h3-6,16H,7H2,1-2H3,(H2,12,13)
InChIKeyDHZPRCIUKVBXBJ-UHFFFAOYSA-N
XLogP0.81
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.81
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-methylbenzamide
CID 76928946
N-(2-amino-2-hydroxyiminoethyl)-2-hydroxy-N,5-dimethylbenzamide
CID 76928817
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-amino-N-(2-amino-2-oxoethyl)-N-methylbenzamide
CID 43373883
4-[(2-amino-2-oxoethyl)-methylcarbamoyl]benzoic acid
CID 43452627
N-(2-amino-2-hydroxyiminoethyl)-N-methyl-1-phenylpyrazole-4-carboxamide
CID 76929282
butyl 2-[methyl-(4-methylbenzoyl)amino]acetate
CID 91710677
N-[(3E)-3-amino-3-hydroxyiminopropyl]-4-chloro-N-methylbenzamide
CID 6249988
ethyl N-(2-amino-2-hydroxyiminoethyl)-N-methylcarbamate
CID 76929212
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-bromo-6-fluoro-N-methylbenzamide
CID 114560773
N-(1-amino-1-hydroxyiminopropan-2-yl)-N,4-dimethylbenzamide
CID 76928136

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N,4-dimethylbenzamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N,4-dimethylbenzamide (CID 76929049) is N-(2-amino-2-hydroxyiminoethyl)-N,4-dimethylbenzamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N,4-dimethylbenzamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)CC(N)=NO)cc1.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N,4-dimethylbenzamide?
The InChIKey is DHZPRCIUKVBXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8-3-5-9(6-4-8)11(15)14(2)7-10(12)13-16/h3-6,16H,7H2,1-2H3,(H2,12,13).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N,4-dimethylbenzamide?
N-(2-amino-2-hydroxyiminoethyl)-N,4-dimethylbenzamide has a molecular weight of 221.26 g/mol, XLogP of 0.81, 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,4-dimethylbenzamide is sourced from PubChem (CID 76929049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).