3-amino-N-(3,5-dimethylphenyl)-3-hydroxyimino-N,2,2-trimethylpropanamide

C14H21N3O2 — CID 76932108

IUPAC3-amino-N-(3,5-dimethylphenyl)-3-hydroxyimino-N,2,2-trimethylpropanamide
SMILESCc1cc(C)cc(N(C)C(=O)C(C)(C)C(N)=NO)c1
InChIInChI=1S/C14H21N3O2/c1-9-6-10(2)8-11(7-9)17(5)13(18)14(3,4)12(15)16-19/h6-8,19H,1-5H3,(H2,15,16)
InChIKeyVCSZTJYGISSTQZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.04
Rot. Bonds3

About 3-amino-N-(3,5-dimethylphenyl)-3-hydroxyimino-N,2,2-trimethylpropanamide

3-amino-N-(3,5-dimethylphenyl)-3-hydroxyimino-N,2,2-trimethylpropanamide (PubChem CID 76932108) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-amino-N-(3,5-dimethylphenyl)-3-hydroxyimino-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-(3,5-dimethylphenyl)-3-hydroxyimino-N,2,2-trimethylpropanamide
PubChem CID76932108
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-amino-N-(3,5-dimethylphenyl)-3-hydroxyimino-N,2,2-trimethylpropanamide
SMILESCc1cc(C)cc(N(C)C(=O)C(C)(C)C(N)=NO)c1
InChIInChI=1S/C14H21N3O2/c1-9-6-10(2)8-11(7-9)17(5)13(18)14(3,4)12(15)16-19/h6-8,19H,1-5H3,(H2,15,16)
InChIKeyVCSZTJYGISSTQZ-UHFFFAOYSA-N
XLogP2.04
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.04
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,5-dimethylphenyl)-3-hydroxyimino-N,2,2-trimethylpropanamide?
The IUPAC name of 3-amino-N-(3,5-dimethylphenyl)-3-hydroxyimino-N,2,2-trimethylpropanamide (CID 76932108) is 3-amino-N-(3,5-dimethylphenyl)-3-hydroxyimino-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-amino-N-(3,5-dimethylphenyl)-3-hydroxyimino-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-amino-N-(3,5-dimethylphenyl)-3-hydroxyimino-N,2,2-trimethylpropanamide is Cc1cc(C)cc(N(C)C(=O)C(C)(C)C(N)=NO)c1.
What is the InChIKey of 3-amino-N-(3,5-dimethylphenyl)-3-hydroxyimino-N,2,2-trimethylpropanamide?
The InChIKey is VCSZTJYGISSTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9-6-10(2)8-11(7-9)17(5)13(18)14(3,4)12(15)16-19/h6-8,19H,1-5H3,(H2,15,16).
What are the key properties of 3-amino-N-(3,5-dimethylphenyl)-3-hydroxyimino-N,2,2-trimethylpropanamide?
3-amino-N-(3,5-dimethylphenyl)-3-hydroxyimino-N,2,2-trimethylpropanamide has a molecular weight of 263.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,5-dimethylphenyl)-3-hydroxyimino-N,2,2-trimethylpropanamide is sourced from PubChem (CID 76932108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).