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

C12H17N3O2 — CID 55128874

IUPAC(3Z)-3-amino-3-hydroxyimino-2-phenyl-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(/C(N)=N/O)c1ccccc1
InChIInChI=1S/C12H17N3O2/c1-8(2)14-12(16)10(11(13)15-17)9-6-4-3-5-7-9/h3-8,10,17H,1-2H3,(H2,13,15)(H,14,16)
InChIKeyVLWZLNJEJGMBGV-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.04
Rot. Bonds4

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

(3Z)-3-amino-3-hydroxyimino-2-phenyl-N-propan-2-ylpropanamide (PubChem CID 55128874) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-2-phenyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-2-phenyl-N-propan-2-ylpropanamide
PubChem CID55128874
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(3Z)-3-amino-3-hydroxyimino-2-phenyl-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(/C(N)=N/O)c1ccccc1
InChIInChI=1S/C12H17N3O2/c1-8(2)14-12(16)10(11(13)15-17)9-6-4-3-5-7-9/h3-8,10,17H,1-2H3,(H2,13,15)(H,14,16)
InChIKeyVLWZLNJEJGMBGV-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
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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Related Compounds

3-amino-3-hydroxyimino-N-pentan-3-yl-2-phenylpropanamide
CID 76975352
(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
(3Z)-3-amino-3-hydroxyimino-N-methyl-2-phenyl-N-propan-2-ylpropanamide
CID 55128922
3-amino-3-hydroxyimino-N-(1-methylpiperidin-4-yl)-2-phenylpropanamide
CID 76975438
2-amino-2-phenyl-N-propan-2-ylacetamide;hydrochloride
CID 22262716
(3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide
CID 10546372
3-amino-3-hydroxyimino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide
CID 76975321
3-amino-3-hydroxyimino-2-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 76975364
(3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide
CID 106295261
3-amino-N-cyclopropyl-3-hydroxyimino-N-(2-methylpropyl)-2-phenylpropanamide
CID 76975528
2-methyl-3-phenyl-N-propan-2-ylbutanamide
CID 134975619

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-3-hydroxyimino-2-phenyl-N-propan-2-ylpropanamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-2-phenyl-N-propan-2-ylpropanamide (CID 55128874) is (3Z)-3-amino-3-hydroxyimino-2-phenyl-N-propan-2-ylpropanamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-2-phenyl-N-propan-2-ylpropanamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-2-phenyl-N-propan-2-ylpropanamide is CC(C)NC(=O)C(/C(N)=N/O)c1ccccc1.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-2-phenyl-N-propan-2-ylpropanamide?
The InChIKey is VLWZLNJEJGMBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(2)14-12(16)10(11(13)15-17)9-6-4-3-5-7-9/h3-8,10,17H,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of (3Z)-3-amino-3-hydroxyimino-2-phenyl-N-propan-2-ylpropanamide?
(3Z)-3-amino-3-hydroxyimino-2-phenyl-N-propan-2-ylpropanamide has a molecular weight of 235.29 g/mol, XLogP of 1.04, 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-2-phenyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 55128874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).