(2S,3Z)-3-hydroxyimino-2,3-diphenyl-N-propylpropanamide

C18H20N2O2 — CID 138965842

IUPAC(2S,3Z)-3-hydroxyimino-2,3-diphenyl-N-propylpropanamide
SMILESCCCNC(=O)[C@H](/C(=N/O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-2-13-19-18(21)16(14-9-5-3-6-10-14)17(20-22)15-11-7-4-8-12-15/h3-12,16,22H,2,13H2,1H3,(H,19,21)/b20-17+/t16-/m0/s1
InChIKeyVKLOGCPZHKFXFW-TXCMAPRMSA-N
MW296.37 g/mol
LogP3.17
Rot. Bonds6

About (2S,3Z)-3-hydroxyimino-2,3-diphenyl-N-propylpropanamide

(2S,3Z)-3-hydroxyimino-2,3-diphenyl-N-propylpropanamide (PubChem CID 138965842) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (2S,3Z)-3-hydroxyimino-2,3-diphenyl-N-propylpropanamide.

Molecular Properties

Compound Name(2S,3Z)-3-hydroxyimino-2,3-diphenyl-N-propylpropanamide
PubChem CID138965842
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(2S,3Z)-3-hydroxyimino-2,3-diphenyl-N-propylpropanamide
SMILESCCCNC(=O)[C@H](/C(=N/O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-2-13-19-18(21)16(14-9-5-3-6-10-14)17(20-22)15-11-7-4-8-12-15/h3-12,16,22H,2,13H2,1H3,(H,19,21)/b20-17+/t16-/m0/s1
InChIKeyVKLOGCPZHKFXFW-TXCMAPRMSA-N
XLogP3.17
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-(cyanomethyl)-4-methyl-2-(3-phenylphenyl)pentanamide
CID 9815041
2-benzyl-N1-hydroxy-N3-(3-phenylpropyl)malonamide
CID 10592233
N-(cyanomethyl)-4-methyl-2-(4-phenylphenyl)pentanamide
CID 18628679
N-[2-(Dimethylamino)ethyl]-2,2-diphenylacetamide
CID 422051
2-phenyl-N-[4-[(2-phenylacetyl)amino]butyl]acetamide
CID 2162324
N-cyclohexyl-2,2-diphenylacetamide
CID 349568
2-benzyl-N1-hydroxy-N3-(4-phenylbutyl)malonamide
CID 16115012
2-phenyl-N-(2-phenylethyl)butanamide
CID 2905215
N-butyl-3-(6-oxo-3-phenyl-5,6-dihydropyridazin-1(4H)-yl)propanamide
CID 15992445
N,N'-propane-1,3-diylbis(2-phenylacetamide)
CID 257239
(2Z)-2-(hydroxyimino)-2-phenyl-N-(2-phenylethyl)ethanamide
CID 6401233
(2Z)-2-(hydroxyimino)-2-phenyl-N-(propan-2-yl)ethanamide
CID 6407444

Frequently Asked Questions

What is the IUPAC name of (2S,3Z)-3-hydroxyimino-2,3-diphenyl-N-propylpropanamide?
The IUPAC name of (2S,3Z)-3-hydroxyimino-2,3-diphenyl-N-propylpropanamide (CID 138965842) is (2S,3Z)-3-hydroxyimino-2,3-diphenyl-N-propylpropanamide.
What is the SMILES notation for (2S,3Z)-3-hydroxyimino-2,3-diphenyl-N-propylpropanamide?
The canonical SMILES for (2S,3Z)-3-hydroxyimino-2,3-diphenyl-N-propylpropanamide is CCCNC(=O)[C@H](/C(=N/O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3Z)-3-hydroxyimino-2,3-diphenyl-N-propylpropanamide?
The InChIKey is VKLOGCPZHKFXFW-TXCMAPRMSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-2-13-19-18(21)16(14-9-5-3-6-10-14)17(20-22)15-11-7-4-8-12-15/h3-12,16,22H,2,13H2,1H3,(H,19,21)/b20-17+/t16-/m0/s1.
What are the key properties of (2S,3Z)-3-hydroxyimino-2,3-diphenyl-N-propylpropanamide?
(2S,3Z)-3-hydroxyimino-2,3-diphenyl-N-propylpropanamide has a molecular weight of 296.37 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3Z)-3-hydroxyimino-2,3-diphenyl-N-propylpropanamide is sourced from PubChem (CID 138965842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).