N-[4-(2-amino-2-iminoethoxy)phenyl]-2,2-dimethylpropanamide

C13H19N3O2 — CID 71756532

IUPACN-[4-(2-amino-2-iminoethoxy)phenyl]-2,2-dimethylpropanamide
SMILES[H]/N=C(\N)COc1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C13H19N3O2/c1-13(2,3)12(17)16-9-4-6-10(7-5-9)18-8-11(14)15/h4-7H,8H2,1-3H3,(H3,14,15)(H,16,17)
InChIKeyXYYALBOCOHEBLG-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.99
Rot. Bonds4

About N-[4-(2-amino-2-iminoethoxy)phenyl]-2,2-dimethylpropanamide

N-[4-(2-amino-2-iminoethoxy)phenyl]-2,2-dimethylpropanamide (PubChem CID 71756532) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[4-(2-amino-2-iminoethoxy)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-iminoethoxy)phenyl]-2,2-dimethylpropanamide
PubChem CID71756532
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[4-(2-amino-2-iminoethoxy)phenyl]-2,2-dimethylpropanamide
SMILES[H]/N=C(\N)COc1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C13H19N3O2/c1-13(2,3)12(17)16-9-4-6-10(7-5-9)18-8-11(14)15/h4-7H,8H2,1-3H3,(H3,14,15)(H,16,17)
InChIKeyXYYALBOCOHEBLG-UHFFFAOYSA-N
XLogP1.99
TPSA88.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid
CID 1336713
N-[4-(4-ethoxyphenoxy)phenyl]-2,2-dimethylpropanamide
CID 26242416
2-(4-ethylphenoxy)ethanimidamide
CID 24709698
N-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2,2-dimethylpropanamide
CID 58408889
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-methoxy-2-methylbutanamide
CID 133245864
N-[3-(2-amino-2-oxoethoxy)phenyl]-2,2-dimethylpropanamide
CID 38160075
2-(4-phenoxyphenoxy)ethanimidamide
CID 24695247
N-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide
CID 155301754
N-(4-cyanophenyl)-2,2-dimethylpropanamide
CID 4927441
[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 3-(4-acetylphenoxy)propanoate
CID 31657210
(2R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-methoxy-2-methylheptanamide
CID 100701491
ethyl 2-[4-[(2,2,2-trichloroacetyl)amino]phenoxy]acetate
CID 2725562

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-iminoethoxy)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(2-amino-2-iminoethoxy)phenyl]-2,2-dimethylpropanamide (CID 71756532) is N-[4-(2-amino-2-iminoethoxy)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(2-amino-2-iminoethoxy)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(2-amino-2-iminoethoxy)phenyl]-2,2-dimethylpropanamide is [H]/N=C(\N)COc1ccc(NC(=O)C(C)(C)C)cc1.
What is the InChIKey of N-[4-(2-amino-2-iminoethoxy)phenyl]-2,2-dimethylpropanamide?
The InChIKey is XYYALBOCOHEBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(2,3)12(17)16-9-4-6-10(7-5-9)18-8-11(14)15/h4-7H,8H2,1-3H3,(H3,14,15)(H,16,17).
What are the key properties of N-[4-(2-amino-2-iminoethoxy)phenyl]-2,2-dimethylpropanamide?
N-[4-(2-amino-2-iminoethoxy)phenyl]-2,2-dimethylpropanamide has a molecular weight of 249.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-iminoethoxy)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 71756532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).