3-amino-3-hydroxyimino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide

C15H17N3O3 — CID 76975321

IUPAC3-amino-3-hydroxyimino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide
SMILESCc1ccc(CNC(=O)C(C(N)=NO)c2ccccc2)o1
InChIInChI=1S/C15H17N3O3/c1-10-7-8-12(21-10)9-17-15(19)13(14(16)18-20)11-5-3-2-4-6-11/h2-8,13,20H,9H2,1H3,(H2,16,18)(H,17,19)
InChIKeyGDZXSOXHGLTCBF-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.73
Rot. Bonds5

About 3-amino-3-hydroxyimino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide

3-amino-3-hydroxyimino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide (PubChem CID 76975321) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide
PubChem CID76975321
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-amino-3-hydroxyimino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide
SMILESCc1ccc(CNC(=O)C(C(N)=NO)c2ccccc2)o1
InChIInChI=1S/C15H17N3O3/c1-10-7-8-12(21-10)9-17-15(19)13(14(16)18-20)11-5-3-2-4-6-11/h2-8,13,20H,9H2,1H3,(H2,16,18)(H,17,19)
InChIKeyGDZXSOXHGLTCBF-UHFFFAOYSA-N
XLogP1.73
TPSA100.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 3-amino-3-hydroxyimino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide 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

(2R)-2-amino-N-[(5-methylfuran-2-yl)methyl]-2-phenylacetamide
CID 55081694
3-amino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide
CID 62879092
(3Z)-3-amino-N-butyl-3-hydroxyimino-2-phenylpropanamide
CID 55128921
3-amino-3-hydroxyimino-2-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 76975364
3-amino-3-hydroxyimino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide
CID 76993736
3-amino-2-benzyl-N-[(5-methylfuran-2-yl)methyl]-3-sulfanylidenepropanamide
CID 62524742
3-amino-3-hydroxyimino-N-pentan-3-yl-2-phenylpropanamide
CID 76975352
3-amino-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 62524542
3-amino-3-hydroxyimino-N-(oxolan-2-ylmethyl)-2-phenylpropanamide
CID 76975426
(3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide
CID 106295261
(3Z)-3-amino-3-hydroxyimino-N-(3-methylpentan-3-yl)-2-phenylpropanamide
CID 106330934
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetohydrazide
CID 63573476

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide?
The IUPAC name of 3-amino-3-hydroxyimino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide (CID 76975321) is 3-amino-3-hydroxyimino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide is Cc1ccc(CNC(=O)C(C(N)=NO)c2ccccc2)o1.
What is the InChIKey of 3-amino-3-hydroxyimino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide?
The InChIKey is GDZXSOXHGLTCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-7-8-12(21-10)9-17-15(19)13(14(16)18-20)11-5-3-2-4-6-11/h2-8,13,20H,9H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 3-amino-3-hydroxyimino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide?
3-amino-3-hydroxyimino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide has a molecular weight of 287.32 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide is sourced from PubChem (CID 76975321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).