(3E)-3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyiminopropanamide

C11H15N3O4 — CID 42588010

IUPAC(3E)-3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyiminopropanamide
SMILESCOc1ccc(OC)c(NC(=O)C/C(N)=N\O)c1
InChIInChI=1S/C11H15N3O4/c1-17-7-3-4-9(18-2)8(5-7)13-11(15)6-10(12)14-16/h3-5,16H,6H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyMTCNYNMXWZEWJA-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.78
Rot. Bonds5

About (3E)-3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyiminopropanamide

(3E)-3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyiminopropanamide (PubChem CID 42588010) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is (3E)-3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyiminopropanamide.

Molecular Properties

Compound Name(3E)-3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyiminopropanamide
PubChem CID42588010
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name(3E)-3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyiminopropanamide
SMILESCOc1ccc(OC)c(NC(=O)C/C(N)=N\O)c1
InChIInChI=1S/C11H15N3O4/c1-17-7-3-4-9(18-2)8(5-7)13-11(15)6-10(12)14-16/h3-5,16H,6H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyMTCNYNMXWZEWJA-UHFFFAOYSA-N
XLogP0.78
TPSA106.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.78
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'}

Analyze (3E)-3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyiminopropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
ethyl 3-(2,5-dimethoxyanilino)-3-oxopropanoate
CID 12866654
(3Z)-3-amino-3-hydroxyimino-N-(4-methoxyphenyl)propanamide
CID 16762435
[2-(2,5-dimethoxyanilino)-2-oxoethyl] propanoate
CID 2086138
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479
2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N-ethylacetamide
CID 111032082
3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919718
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 676177
N'-(2,5-dimethoxyphenyl)-N-propylpropanediamide
CID 108940714
N'-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]propanediamide
CID 108943905
ethyl 2-(2,5-dimethoxyanilino)-2-oxoacetate
CID 3494164

Frequently Asked Questions

What is the IUPAC name of (3E)-3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyiminopropanamide?
The IUPAC name of (3E)-3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyiminopropanamide (CID 42588010) is (3E)-3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyiminopropanamide.
What is the SMILES notation for (3E)-3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyiminopropanamide?
The canonical SMILES for (3E)-3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyiminopropanamide is COc1ccc(OC)c(NC(=O)C/C(N)=N\O)c1.
What is the InChIKey of (3E)-3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyiminopropanamide?
The InChIKey is MTCNYNMXWZEWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-17-7-3-4-9(18-2)8(5-7)13-11(15)6-10(12)14-16/h3-5,16H,6H2,1-2H3,(H2,12,14)(H,13,15).
What are the key properties of (3E)-3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyiminopropanamide?
(3E)-3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyiminopropanamide has a molecular weight of 253.26 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyiminopropanamide is sourced from PubChem (CID 42588010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).