3-amino-N-(2,4-dimethylphenyl)-3-hydroxyimino-N,2-dimethylpropanamide

C13H19N3O2 — CID 76932122

IUPAC3-amino-N-(2,4-dimethylphenyl)-3-hydroxyimino-N,2-dimethylpropanamide
SMILESCc1ccc(N(C)C(=O)C(C)C(N)=NO)c(C)c1
InChIInChI=1S/C13H19N3O2/c1-8-5-6-11(9(2)7-8)16(4)13(17)10(3)12(14)15-18/h5-7,10,18H,1-4H3,(H2,14,15)
InChIKeyXVEPFUDQWRJJQX-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.65
Rot. Bonds3

About 3-amino-N-(2,4-dimethylphenyl)-3-hydroxyimino-N,2-dimethylpropanamide

3-amino-N-(2,4-dimethylphenyl)-3-hydroxyimino-N,2-dimethylpropanamide (PubChem CID 76932122) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-amino-N-(2,4-dimethylphenyl)-3-hydroxyimino-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2,4-dimethylphenyl)-3-hydroxyimino-N,2-dimethylpropanamide
PubChem CID76932122
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-amino-N-(2,4-dimethylphenyl)-3-hydroxyimino-N,2-dimethylpropanamide
SMILESCc1ccc(N(C)C(=O)C(C)C(N)=NO)c(C)c1
InChIInChI=1S/C13H19N3O2/c1-8-5-6-11(9(2)7-8)16(4)13(17)10(3)12(14)15-18/h5-7,10,18H,1-4H3,(H2,14,15)
InChIKeyXVEPFUDQWRJJQX-UHFFFAOYSA-N
XLogP1.65
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.65
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

2-[(2,4-dimethylphenyl)-methylcarbamoyl]-3-methylbutanoic acid
CID 115186176
[amino-(N,2,4-trimethylanilino)methylidene]urea
CID 57266541
3-amino-N-(2,4-dimethylphenyl)-N-methylbutanamide
CID 115154049
2-acetamido-N-(2,4-dimethylphenyl)-N,3-dimethylbutanamide
CID 47313257
2-amino-N-(2,4-dimethylphenyl)-N-methylhexanamide
CID 113227828
3-amino-N-(2,4-dimethylphenyl)-N-methyl-2-phenylpropanamide
CID 62876983
N-(2,4-dimethylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138834
3-amino-N-[1-(4-chlorophenyl)ethyl]-3-hydroxyimino-N,2-dimethylpropanamide
CID 76979825
(2R)-2-(N,2,4-trimethylanilino)propanoic acid
CID 124508497
N-(2,4-dimethylphenyl)-4-hydroxy-N-methylbutanamide
CID 79193265
3-tert-butyl-1-(2,4-dimethylphenyl)-1-methylurea
CID 115695066
2-[[(2,4-dimethylphenyl)-methylcarbamoyl]-propan-2-ylamino]acetic acid
CID 62002506

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4-dimethylphenyl)-3-hydroxyimino-N,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-(2,4-dimethylphenyl)-3-hydroxyimino-N,2-dimethylpropanamide (CID 76932122) is 3-amino-N-(2,4-dimethylphenyl)-3-hydroxyimino-N,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-(2,4-dimethylphenyl)-3-hydroxyimino-N,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-(2,4-dimethylphenyl)-3-hydroxyimino-N,2-dimethylpropanamide is Cc1ccc(N(C)C(=O)C(C)C(N)=NO)c(C)c1.
What is the InChIKey of 3-amino-N-(2,4-dimethylphenyl)-3-hydroxyimino-N,2-dimethylpropanamide?
The InChIKey is XVEPFUDQWRJJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8-5-6-11(9(2)7-8)16(4)13(17)10(3)12(14)15-18/h5-7,10,18H,1-4H3,(H2,14,15).
What are the key properties of 3-amino-N-(2,4-dimethylphenyl)-3-hydroxyimino-N,2-dimethylpropanamide?
3-amino-N-(2,4-dimethylphenyl)-3-hydroxyimino-N,2-dimethylpropanamide has a molecular weight of 249.31 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,4-dimethylphenyl)-3-hydroxyimino-N,2-dimethylpropanamide is sourced from PubChem (CID 76932122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).