N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-2,3-dimethylbenzamide

C13H19N3O2 — CID 76928775

IUPACN-(2-amino-2-hydroxyiminoethyl)-N-ethyl-2,3-dimethylbenzamide
SMILESCCN(CC(N)=NO)C(=O)c1cccc(C)c1C
InChIInChI=1S/C13H19N3O2/c1-4-16(8-12(14)15-18)13(17)11-7-5-6-9(2)10(11)3/h5-7,18H,4,8H2,1-3H3,(H2,14,15)
InChIKeyQXNSDHDFBNAHSD-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.51
Rot. Bonds4

About N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-2,3-dimethylbenzamide

N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-2,3-dimethylbenzamide (PubChem CID 76928775) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N-ethyl-2,3-dimethylbenzamide
PubChem CID76928775
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N-ethyl-2,3-dimethylbenzamide
SMILESCCN(CC(N)=NO)C(=O)c1cccc(C)c1C
InChIInChI=1S/C13H19N3O2/c1-4-16(8-12(14)15-18)13(17)11-7-5-6-9(2)10(11)3/h5-7,18H,4,8H2,1-3H3,(H2,14,15)
InChIKeyQXNSDHDFBNAHSD-UHFFFAOYSA-N
XLogP1.51
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.51
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-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-chloro-N-ethyl-2-methylbenzamide
CID 107099465
3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-methylbenzamide
CID 103100884
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-3-iodobenzamide
CID 76929197
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3-dimethylbenzamide
CID 76911641
2-[ethyl-(3-fluoro-2-methylbenzoyl)amino]acetic acid
CID 122107483
N-(2-amino-2-hydroxyiminoethyl)-N-ethylnaphthalene-2-carboxamide
CID 76929403
N,N-bis(2-hydroxyethyl)-2,3-dimethylbenzamide
CID 60653153
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxy-2-methylbenzamide
CID 82795366
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-6-methylpyridine-3-carboxamide
CID 76929152
N-(2-amino-2-oxoethyl)-3-(3-aminoprop-1-ynyl)-N-ethyl-2-methylbenzamide
CID 103103874
N,N-diethyl-2-fluoro-3-methylbenzamide
CID 80718588
N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)-2-methylbenzamide
CID 103103851

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-2,3-dimethylbenzamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-2,3-dimethylbenzamide (CID 76928775) is N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-2,3-dimethylbenzamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-2,3-dimethylbenzamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-2,3-dimethylbenzamide is CCN(CC(N)=NO)C(=O)c1cccc(C)c1C.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-2,3-dimethylbenzamide?
The InChIKey is QXNSDHDFBNAHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-4-16(8-12(14)15-18)13(17)11-7-5-6-9(2)10(11)3/h5-7,18H,4,8H2,1-3H3,(H2,14,15).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-2,3-dimethylbenzamide?
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-2,3-dimethylbenzamide has a molecular weight of 249.31 g/mol, XLogP of 1.51, 4 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-ethyl-2,3-dimethylbenzamide is sourced from PubChem (CID 76928775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).