(2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-phenylpropanoyl]amino]ethyldiselanyl]ethyl]-3-phenylpropanamide

C22H26N4O4Se2 — CID 142589380

IUPAC(2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-phenylpropanoyl]amino]ethyldiselanyl]ethyl]-3-phenylpropanamide
SMILESO=C(NCC[Se][Se]CCNC(=O)/C(Cc1ccccc1)=N/O)/C(Cc1ccccc1)=N/O
InChIInChI=1S/C22H26N4O4Se2/c27-21(19(25-29)15-17-7-3-1-4-8-17)23-11-13-31-32-14-12-24-22(28)20(26-30)16-18-9-5-2-6-10-18/h1-10,29-30H,11-16H2,(H,23,27)(H,24,28)/b25-19+,26-20+
InChIKeyXYEKBBJMDAUIRZ-FQHZWJPGSA-N
MW568.39 g/mol
LogP1.52
Rot. Bonds13

About (2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-phenylpropanoyl]amino]ethyldiselanyl]ethyl]-3-phenylpropanamide

(2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-phenylpropanoyl]amino]ethyldiselanyl]ethyl]-3-phenylpropanamide (PubChem CID 142589380) has the molecular formula C22H26N4O4Se2 and a molecular weight of 568.39 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-phenylpropanoyl]amino]ethyldiselanyl]ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-phenylpropanoyl]amino]ethyldiselanyl]ethyl]-3-phenylpropanamide
PubChem CID142589380
Molecular FormulaC22H26N4O4Se2
Molecular Weight568.39 g/mol
Exact Mass570.03
IUPAC Name(2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-phenylpropanoyl]amino]ethyldiselanyl]ethyl]-3-phenylpropanamide
SMILESO=C(NCC[Se][Se]CCNC(=O)/C(Cc1ccccc1)=N/O)/C(Cc1ccccc1)=N/O
InChIInChI=1S/C22H26N4O4Se2/c27-21(19(25-29)15-17-7-3-1-4-8-17)23-11-13-31-32-14-12-24-22(28)20(26-30)16-18-9-5-2-6-10-18/h1-10,29-30H,11-16H2,(H,23,27)(H,24,28)/b25-19+,26-20+
InChIKeyXYEKBBJMDAUIRZ-FQHZWJPGSA-N
XLogP1.52
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.39
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-phenylpropanoyl]amino]ethyldiselanyl]ethyl]-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-N1-hydroxy-N3-(3-phenylpropyl)malonamide
CID 10592233
2-benzyl-N1-hydroxy-N3-(4-phenylbutyl)malonamide
CID 16115012
3-phenyl-N-[2-(3-phenylpropanoylamino)propyl]propanamide
CID 2899410
(2Z)-2-(hydroxyimino)-2-phenyl-N-(2-phenylethyl)ethanamide
CID 6401233
(2Z)-2-(hydroxyimino)-2-phenyl-N-(propan-2-yl)ethanamide
CID 6407444
6-(3,3-diphenylprop-2-enoylamino)-N-hydroxyhexanamide
CID 9903149
N1-hydroxy-2-phenethyl-N3-(3-phenylpropyl)malonamide
CID 10337314
Octanedioic acid hydroxyamide (1-phenethylcarbamoyl-2-phenyl-ethyl)-amide
CID 11004679
N'-hydroxy-N-(2-phenylethyl)octanediamide
CID 42598706
(2E)-3-(4-tert-butylphenyl)-N-[2-[2-[[(2E)-3-(4-tert-butylphenyl)-2-hydroxyiminopropanoyl]amino]ethyldiselanyl]ethyl]-2-hydroxyiminopropanamide
CID 142589363
(2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-naphthalen-2-ylpropanoyl]amino]ethyldiselanyl]ethyl]-3-naphthalen-2-ylpropanamide
CID 142589372
(2E)-3-(3,4-difluorophenyl)-N-[2-[2-[[(2E)-3-(3,4-difluorophenyl)-2-hydroxyiminopropanoyl]amino]ethyldiselanyl]ethyl]-2-hydroxyiminopropanamide
CID 142589376

Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-phenylpropanoyl]amino]ethyldiselanyl]ethyl]-3-phenylpropanamide?
The IUPAC name of (2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-phenylpropanoyl]amino]ethyldiselanyl]ethyl]-3-phenylpropanamide (CID 142589380) is (2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-phenylpropanoyl]amino]ethyldiselanyl]ethyl]-3-phenylpropanamide.
What is the SMILES notation for (2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-phenylpropanoyl]amino]ethyldiselanyl]ethyl]-3-phenylpropanamide?
The canonical SMILES for (2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-phenylpropanoyl]amino]ethyldiselanyl]ethyl]-3-phenylpropanamide is O=C(NCC[Se][Se]CCNC(=O)/C(Cc1ccccc1)=N/O)/C(Cc1ccccc1)=N/O.
What is the InChIKey of (2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-phenylpropanoyl]amino]ethyldiselanyl]ethyl]-3-phenylpropanamide?
The InChIKey is XYEKBBJMDAUIRZ-FQHZWJPGSA-N. The full InChI is InChI=1S/C22H26N4O4Se2/c27-21(19(25-29)15-17-7-3-1-4-8-17)23-11-13-31-32-14-12-24-22(28)20(26-30)16-18-9-5-2-6-10-18/h1-10,29-30H,11-16H2,(H,23,27)(H,24,28)/b25-19+,26-20+.
What are the key properties of (2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-phenylpropanoyl]amino]ethyldiselanyl]ethyl]-3-phenylpropanamide?
(2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-phenylpropanoyl]amino]ethyldiselanyl]ethyl]-3-phenylpropanamide has a molecular weight of 568.39 g/mol, XLogP of 1.52, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-phenylpropanoyl]amino]ethyldiselanyl]ethyl]-3-phenylpropanamide is sourced from PubChem (CID 142589380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).