(3Z)-3-amino-3-hydroxyimino-N-methyl-2-phenyl-N-propan-2-ylpropanamide

C13H19N3O2 — CID 55128922

IUPAC(3Z)-3-amino-3-hydroxyimino-N-methyl-2-phenyl-N-propan-2-ylpropanamide
SMILESCC(C)N(C)C(=O)C(/C(N)=N/O)c1ccccc1
InChIInChI=1S/C13H19N3O2/c1-9(2)16(3)13(17)11(12(14)15-18)10-7-5-4-6-8-10/h4-9,11,18H,1-3H3,(H2,14,15)
InChIKeyQBKGQJAKXFRDQP-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.38
Rot. Bonds4

About (3Z)-3-amino-3-hydroxyimino-N-methyl-2-phenyl-N-propan-2-ylpropanamide

(3Z)-3-amino-3-hydroxyimino-N-methyl-2-phenyl-N-propan-2-ylpropanamide (PubChem CID 55128922) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-N-methyl-2-phenyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-N-methyl-2-phenyl-N-propan-2-ylpropanamide
PubChem CID55128922
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(3Z)-3-amino-3-hydroxyimino-N-methyl-2-phenyl-N-propan-2-ylpropanamide
SMILESCC(C)N(C)C(=O)C(/C(N)=N/O)c1ccccc1
InChIInChI=1S/C13H19N3O2/c1-9(2)16(3)13(17)11(12(14)15-18)10-7-5-4-6-8-10/h4-9,11,18H,1-3H3,(H2,14,15)
InChIKeyQBKGQJAKXFRDQP-UHFFFAOYSA-N
XLogP1.38
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
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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Related Compounds

3-amino-3-hydroxyimino-N-methyl-N-(4-methylpentan-2-yl)-2-phenylpropanamide
CID 76975541
3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropanamide
CID 76975517
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxyimino-N-methyl-2-phenylpropanamide
CID 76975466
3-amino-N-cyclopropyl-3-hydroxyimino-N-(2-methylpropyl)-2-phenylpropanamide
CID 76975528
(3Z)-3-amino-3-hydroxyimino-2-phenyl-N-propan-2-ylpropanamide
CID 55128874
3-amino-N-butyl-N-ethyl-3-hydroxyimino-2-phenylpropanamide
CID 76975359
2-amino-N-methyl-2-phenyl-N-propan-2-ylacetamide;hydrochloride
CID 75511591
3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-phenylpropanamide
CID 76975498
3-amino-3-hydroxyimino-N-pentan-3-yl-2-phenylpropanamide
CID 76975352
3-(3,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide
CID 79180897
(3Z)-3-amino-N-butyl-3-hydroxyimino-2-phenylpropanamide
CID 55128921
(3Z)-3-amino-3-hydroxyimino-N-(3-methylpentan-3-yl)-2-phenylpropanamide
CID 106330934

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-methyl-2-phenyl-N-propan-2-ylpropanamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-methyl-2-phenyl-N-propan-2-ylpropanamide (CID 55128922) is (3Z)-3-amino-3-hydroxyimino-N-methyl-2-phenyl-N-propan-2-ylpropanamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-N-methyl-2-phenyl-N-propan-2-ylpropanamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-N-methyl-2-phenyl-N-propan-2-ylpropanamide is CC(C)N(C)C(=O)C(/C(N)=N/O)c1ccccc1.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-N-methyl-2-phenyl-N-propan-2-ylpropanamide?
The InChIKey is QBKGQJAKXFRDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(2)16(3)13(17)11(12(14)15-18)10-7-5-4-6-8-10/h4-9,11,18H,1-3H3,(H2,14,15).
What are the key properties of (3Z)-3-amino-3-hydroxyimino-N-methyl-2-phenyl-N-propan-2-ylpropanamide?
(3Z)-3-amino-3-hydroxyimino-N-methyl-2-phenyl-N-propan-2-ylpropanamide has a molecular weight of 249.31 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-3-hydroxyimino-N-methyl-2-phenyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 55128922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).