(3Z)-3-amino-3-hydroxyimino-N-(2-propan-2-ylphenyl)propanamide

C12H17N3O2 — CID 43156039

IUPAC(3Z)-3-amino-3-hydroxyimino-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)C/C(N)=N/O
InChIInChI=1S/C12H17N3O2/c1-8(2)9-5-3-4-6-10(9)14-12(16)7-11(13)15-17/h3-6,8,17H,7H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyGRLXIIZOFMJDRG-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.88
Rot. Bonds4

About (3Z)-3-amino-3-hydroxyimino-N-(2-propan-2-ylphenyl)propanamide

(3Z)-3-amino-3-hydroxyimino-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 43156039) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-N-(2-propan-2-ylphenyl)propanamide
PubChem CID43156039
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(3Z)-3-amino-3-hydroxyimino-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)C/C(N)=N/O
InChIInChI=1S/C12H17N3O2/c1-8(2)9-5-3-4-6-10(9)14-12(16)7-11(13)15-17/h3-6,8,17H,7H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyGRLXIIZOFMJDRG-UHFFFAOYSA-N
XLogP1.88
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.88
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'}, {'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 (3Z)-3-amino-3-hydroxyimino-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-(2-propan-2-ylphenyl)propanamide (CID 43156039) is (3Z)-3-amino-3-hydroxyimino-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-N-(2-propan-2-ylphenyl)propanamide is CC(C)c1ccccc1NC(=O)C/C(N)=N/O.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is GRLXIIZOFMJDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(2)9-5-3-4-6-10(9)14-12(16)7-11(13)15-17/h3-6,8,17H,7H2,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of (3Z)-3-amino-3-hydroxyimino-N-(2-propan-2-ylphenyl)propanamide?
(3Z)-3-amino-3-hydroxyimino-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 235.29 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-3-hydroxyimino-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 43156039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).