(3Z)-3-amino-N-butyl-3-hydroxyimino-2-phenylpropanamide

C13H19N3O2 — CID 55128921

IUPAC(3Z)-3-amino-N-butyl-3-hydroxyimino-2-phenylpropanamide
SMILESCCCCNC(=O)C(/C(N)=N/O)c1ccccc1
InChIInChI=1S/C13H19N3O2/c1-2-3-9-15-13(17)11(12(14)16-18)10-7-5-4-6-8-10/h4-8,11,18H,2-3,9H2,1H3,(H2,14,16)(H,15,17)
InChIKeyJICCVKPOEVJAOW-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.43
Rot. Bonds6

About (3Z)-3-amino-N-butyl-3-hydroxyimino-2-phenylpropanamide

(3Z)-3-amino-N-butyl-3-hydroxyimino-2-phenylpropanamide (PubChem CID 55128921) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3Z)-3-amino-N-butyl-3-hydroxyimino-2-phenylpropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-N-butyl-3-hydroxyimino-2-phenylpropanamide
PubChem CID55128921
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(3Z)-3-amino-N-butyl-3-hydroxyimino-2-phenylpropanamide
SMILESCCCCNC(=O)C(/C(N)=N/O)c1ccccc1
InChIInChI=1S/C13H19N3O2/c1-2-3-9-15-13(17)11(12(14)16-18)10-7-5-4-6-8-10/h4-8,11,18H,2-3,9H2,1H3,(H2,14,16)(H,15,17)
InChIKeyJICCVKPOEVJAOW-UHFFFAOYSA-N
XLogP1.43
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

N'-butyl-2-phenylpropanediamide
CID 70180418
3-amino-N-butyl-2-phenyl-3-sulfanylidenepropanamide
CID 62876860
3-amino-3-hydroxyimino-N-pentan-3-yl-2-phenylpropanamide
CID 76975352
N,N'-dihexyl-2-phenylpropanediamide
CID 3396321
(3Z)-3-amino-3-hydroxyimino-N-(3-methylpentan-3-yl)-2-phenylpropanamide
CID 106330934
(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
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-3-hydroxyimino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide
CID 76975321
N-butyl-2-hydroxy-2-phenylacetamide
CID 15353717
N-butyl-2-phenylpropanamide
CID 101453557

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-N-butyl-3-hydroxyimino-2-phenylpropanamide?
The IUPAC name of (3Z)-3-amino-N-butyl-3-hydroxyimino-2-phenylpropanamide (CID 55128921) is (3Z)-3-amino-N-butyl-3-hydroxyimino-2-phenylpropanamide.
What is the SMILES notation for (3Z)-3-amino-N-butyl-3-hydroxyimino-2-phenylpropanamide?
The canonical SMILES for (3Z)-3-amino-N-butyl-3-hydroxyimino-2-phenylpropanamide is CCCCNC(=O)C(/C(N)=N/O)c1ccccc1.
What is the InChIKey of (3Z)-3-amino-N-butyl-3-hydroxyimino-2-phenylpropanamide?
The InChIKey is JICCVKPOEVJAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-3-9-15-13(17)11(12(14)16-18)10-7-5-4-6-8-10/h4-8,11,18H,2-3,9H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of (3Z)-3-amino-N-butyl-3-hydroxyimino-2-phenylpropanamide?
(3Z)-3-amino-N-butyl-3-hydroxyimino-2-phenylpropanamide has a molecular weight of 249.31 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-N-butyl-3-hydroxyimino-2-phenylpropanamide is sourced from PubChem (CID 55128921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).