(2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-naphthalen-2-ylpropanoyl]amino]ethyldiselanyl]ethyl]-3-naphthalen-2-ylpropanamide

C30H30N4O4Se2 — CID 142589372

IUPAC(2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-naphthalen-2-ylpropanoyl]amino]ethyldiselanyl]ethyl]-3-naphthalen-2-ylpropanamide
SMILESO=C(NCC[Se][Se]CCNC(=O)/C(Cc1ccc2ccccc2c1)=N/O)/C(Cc1ccc2ccccc2c1)=N/O
InChIInChI=1S/C30H30N4O4Se2/c35-29(27(33-37)19-21-9-11-23-5-1-3-7-25(23)17-21)31-13-15-39-40-16-14-32-30(36)28(34-38)20-22-10-12-24-6-2-4-8-26(24)18-22/h1-12,17-18,37-38H,13-16,19-20H2,(H,31,35)(H,32,36)/b33-27+,34-28+
InChIKeyCVRYQLKHTNWXKN-SWMYPXFDSA-N
MW668.51 g/mol
LogP3.83
Rot. Bonds13

About (2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-naphthalen-2-ylpropanoyl]amino]ethyldiselanyl]ethyl]-3-naphthalen-2-ylpropanamide

(2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-naphthalen-2-ylpropanoyl]amino]ethyldiselanyl]ethyl]-3-naphthalen-2-ylpropanamide (PubChem CID 142589372) has the molecular formula C30H30N4O4Se2 and a molecular weight of 668.51 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-naphthalen-2-ylpropanoyl]amino]ethyldiselanyl]ethyl]-3-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-naphthalen-2-ylpropanoyl]amino]ethyldiselanyl]ethyl]-3-naphthalen-2-ylpropanamide
PubChem CID142589372
Molecular FormulaC30H30N4O4Se2
Molecular Weight668.51 g/mol
Exact Mass670.06
IUPAC Name(2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-naphthalen-2-ylpropanoyl]amino]ethyldiselanyl]ethyl]-3-naphthalen-2-ylpropanamide
SMILESO=C(NCC[Se][Se]CCNC(=O)/C(Cc1ccc2ccccc2c1)=N/O)/C(Cc1ccc2ccccc2c1)=N/O
InChIInChI=1S/C30H30N4O4Se2/c35-29(27(33-37)19-21-9-11-23-5-1-3-7-25(23)17-21)31-13-15-39-40-16-14-32-30(36)28(34-38)20-22-10-12-24-6-2-4-8-26(24)18-22/h1-12,17-18,37-38H,13-16,19-20H2,(H,31,35)(H,32,36)/b33-27+,34-28+
InChIKeyCVRYQLKHTNWXKN-SWMYPXFDSA-N
XLogP3.83
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500668.51
LogP ≤ 53.83
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'}

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Related Compounds

(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-phenylpropanoyl]amino]ethyldiselanyl]ethyl]-3-phenylpropanamide
CID 142589380
Ac-2Nal-D-hPhe-D-Phe-NHOH
CID 162669801
2-(aminomethyl)-N-(3-aminopropyl)-3-naphthalen-2-yl-2-(naphthalen-2-ylmethyl)propanamide
CID 71460298
(2Z)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-naphthalen-2-ylpropanoyl]amino]ethyldisulfanyl]ethyl]-3-naphthalen-2-ylpropanamide
CID 118733296
(2Z)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-naphthalen-1-ylpropanoyl]amino]ethyldisulfanyl]ethyl]-3-naphthalen-1-ylpropanamide
CID 118733297
(2Z)-3-anthracen-9-yl-N-[2-[2-[[(2Z)-3-anthracen-9-yl-2-hydroxyiminopropanoyl]amino]ethyldisulfanyl]ethyl]-2-hydroxyiminopropanamide
CID 118733298
(3R)-3-(pyren-1-ylmethyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
CID 12050540
N-propyl-2-pyren-1-ylacetamide
CID 86055643
CID 178324093
CID 178324093
2-naphthalen-1-yl-N-[3-[(2-naphthalen-1-ylacetyl)amino]propyl]acetamide
CID 2213775
N-octyl-5-(4-pyren-1-ylbutanoylamino)pentanamide
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Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-naphthalen-2-ylpropanoyl]amino]ethyldiselanyl]ethyl]-3-naphthalen-2-ylpropanamide?
The IUPAC name of (2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-naphthalen-2-ylpropanoyl]amino]ethyldiselanyl]ethyl]-3-naphthalen-2-ylpropanamide (CID 142589372) is (2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-naphthalen-2-ylpropanoyl]amino]ethyldiselanyl]ethyl]-3-naphthalen-2-ylpropanamide.
What is the SMILES notation for (2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-naphthalen-2-ylpropanoyl]amino]ethyldiselanyl]ethyl]-3-naphthalen-2-ylpropanamide?
The canonical SMILES for (2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-naphthalen-2-ylpropanoyl]amino]ethyldiselanyl]ethyl]-3-naphthalen-2-ylpropanamide is O=C(NCC[Se][Se]CCNC(=O)/C(Cc1ccc2ccccc2c1)=N/O)/C(Cc1ccc2ccccc2c1)=N/O.
What is the InChIKey of (2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-naphthalen-2-ylpropanoyl]amino]ethyldiselanyl]ethyl]-3-naphthalen-2-ylpropanamide?
The InChIKey is CVRYQLKHTNWXKN-SWMYPXFDSA-N. The full InChI is InChI=1S/C30H30N4O4Se2/c35-29(27(33-37)19-21-9-11-23-5-1-3-7-25(23)17-21)31-13-15-39-40-16-14-32-30(36)28(34-38)20-22-10-12-24-6-2-4-8-26(24)18-22/h1-12,17-18,37-38H,13-16,19-20H2,(H,31,35)(H,32,36)/b33-27+,34-28+.
What are the key properties of (2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-naphthalen-2-ylpropanoyl]amino]ethyldiselanyl]ethyl]-3-naphthalen-2-ylpropanamide?
(2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-naphthalen-2-ylpropanoyl]amino]ethyldiselanyl]ethyl]-3-naphthalen-2-ylpropanamide has a molecular weight of 668.51 g/mol, XLogP of 3.83, 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-naphthalen-2-ylpropanoyl]amino]ethyldiselanyl]ethyl]-3-naphthalen-2-ylpropanamide is sourced from PubChem (CID 142589372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).