(3Z)-3-amino-3-hydroxyimino-N-phenylpropanamide

C9H11N3O2 — CID 13380562

IUPAC(3Z)-3-amino-3-hydroxyimino-N-phenylpropanamide
SMILESN/C(CC(=O)Nc1ccccc1)=N\O
InChIInChI=1S/C9H11N3O2/c10-8(12-14)6-9(13)11-7-4-2-1-3-5-7/h1-5,14H,6H2,(H2,10,12)(H,11,13)
InChIKeyXTQZAZLVSUZNQQ-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.76
Rot. Bonds3

About (3Z)-3-amino-3-hydroxyimino-N-phenylpropanamide

(3Z)-3-amino-3-hydroxyimino-N-phenylpropanamide (PubChem CID 13380562) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-N-phenylpropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-N-phenylpropanamide
PubChem CID13380562
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name(3Z)-3-amino-3-hydroxyimino-N-phenylpropanamide
SMILESN/C(CC(=O)Nc1ccccc1)=N\O
InChIInChI=1S/C9H11N3O2/c10-8(12-14)6-9(13)11-7-4-2-1-3-5-7/h1-5,14H,6H2,(H2,10,12)(H,11,13)
InChIKeyXTQZAZLVSUZNQQ-UHFFFAOYSA-N
XLogP0.76
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.76
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

Acetamide, 2-(hydroxyimino)-N-phenyl-
CID 6861488
Malonanilide
CID 69298
3-amino-1-phenyl-4,5-dihydro-1H-pyrazol-5-one
CID 77794
N-(2-chlorophenyl)-2-(N'-hydroxycarbamimidoyl)acetamide
CID 9601076
N1-phenyl-2-hydroxyiminopropanamide
CID 9583273
N-(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetamide
CID 788029
2-(N'-hydroxycarbamimidoyl)-N-(2-methylphenyl)acetamide
CID 7363982
3-amino-N-phenylpropanamide
CID 11652030
N-Acetyl-n'-propionyl-1,4-phenylenediamine
CID 348633
N-(4-fluorophenyl)-3-(methoxyimino)propanamide
CID 5789457
N-[3-(acetylamino)phenyl]propanamide
CID 875904
3-anilino-N-hydroxypropanamide
CID 145959103

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-phenylpropanamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-phenylpropanamide (CID 13380562) is (3Z)-3-amino-3-hydroxyimino-N-phenylpropanamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-N-phenylpropanamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-N-phenylpropanamide is N/C(CC(=O)Nc1ccccc1)=N\O.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-N-phenylpropanamide?
The InChIKey is XTQZAZLVSUZNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c10-8(12-14)6-9(13)11-7-4-2-1-3-5-7/h1-5,14H,6H2,(H2,10,12)(H,11,13).
What are the key properties of (3Z)-3-amino-3-hydroxyimino-N-phenylpropanamide?
(3Z)-3-amino-3-hydroxyimino-N-phenylpropanamide has a molecular weight of 193.21 g/mol, XLogP of 0.76, 3 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-phenylpropanamide is sourced from PubChem (CID 13380562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).