3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyimino-2,2-dimethylpropanamide

C13H19N3O4 — CID 76919718

IUPAC3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
SMILESCOc1ccc(OC)c(NC(=O)C(C)(C)C(N)=NO)c1
InChIInChI=1S/C13H19N3O4/c1-13(2,11(14)16-18)12(17)15-9-7-8(19-3)5-6-10(9)20-4/h5-7,18H,1-4H3,(H2,14,16)(H,15,17)
InChIKeyBNFNFPQVZNYZGV-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.41
Rot. Bonds5

About 3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyimino-2,2-dimethylpropanamide

3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyimino-2,2-dimethylpropanamide (PubChem CID 76919718) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyimino-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
PubChem CID76919718
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
SMILESCOc1ccc(OC)c(NC(=O)C(C)(C)C(N)=NO)c1
InChIInChI=1S/C13H19N3O4/c1-13(2,11(14)16-18)12(17)15-9-7-8(19-3)5-6-10(9)20-4/h5-7,18H,1-4H3,(H2,14,16)(H,15,17)
InChIKeyBNFNFPQVZNYZGV-UHFFFAOYSA-N
XLogP1.41
TPSA106.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(2,5-dimethoxyphenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969408
(3E)-3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyiminopropanamide
CID 42588010
N-(2,6-difluorophenyl)-N'-(2,5-dimethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969640
N-(2,5-dimethoxyphenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958853
N-(2,5-dimethoxyphenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide
CID 108966884
N-(2,5-dimethoxyphenyl)-2-methyl-2-phenylpropanamide
CID 13309485
2-amino-N-(2,5-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 76892238
2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)-2-methylpropanamide
CID 3657024
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993
N-(2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963881
N-[2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide
CID 111095002
N-(2,5-dimethoxyphenyl)-3-(4-formylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108961122

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyimino-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyimino-2,2-dimethylpropanamide (CID 76919718) is 3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyimino-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyimino-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyimino-2,2-dimethylpropanamide is COc1ccc(OC)c(NC(=O)C(C)(C)C(N)=NO)c1.
What is the InChIKey of 3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyimino-2,2-dimethylpropanamide?
The InChIKey is BNFNFPQVZNYZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-13(2,11(14)16-18)12(17)15-9-7-8(19-3)5-6-10(9)20-4/h5-7,18H,1-4H3,(H2,14,16)(H,15,17).
What are the key properties of 3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyimino-2,2-dimethylpropanamide?
3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyimino-2,2-dimethylpropanamide has a molecular weight of 281.31 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyimino-2,2-dimethylpropanamide is sourced from PubChem (CID 76919718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).