2-[4-[3-cyano-2-[2-[(2E)-2-[(3,4-didecoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-6-[4-[2-[(2E)-2-[(3,4-didecoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-4-pyridinyl]phenoxy]-N-[(E)-(3,4-didecoxyphenyl)methylideneamino]acetamide

C105H156N8O12 — CID 177476433

IUPAC2-[4-[3-cyano-2-[2-[(2E)-2-[(3,4-didecoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-6-[4-[2-[(2E)-2-[(3,4-didecoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-4-pyridinyl]phenoxy]-N-[(E)-(3,4-didecoxyphenyl)methylideneamino]acetamide
SMILESCCCCCCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(-c3cc(-c4ccc(OCC(=O)N/N=C/c5ccc(OCCCCCCCCCC)c(OCCCCCCCCCC)c5)cc4)c(C#N)c(OCC(=O)N/N=C/c4ccc(OCCCCCCCCCC)c(OCCCCCCCCCC)c4)n3)cc2)cc1OCCCCCCCCCC
InChIInChI=1S/C105H156N8O12/c1-7-13-19-25-31-37-43-49-69-117-96-66-55-86(75-99(96)120-72-52-46-40-34-28-22-16-10-4)80-107-111-102(114)83-123-91-62-58-89(59-63-91)93-78-95(110-105(94(93)79-106)125-85-104(116)113-109-82-88-57-68-98(119-71-51-45-39-33-27-21-15-9-3)101(77-88)122-74-54-48-42-36-30-24-18-12-6)90-60-64-92(65-61-90)124-84-103(115)112-108-81-87-56-67-97(118-70-50-44-38-32-26-20-14-8-2)100(76-87)121-73-53-47-41-35-29-23-17-11-5/h55-68,75-78,80-82H,7-54,69-74,83-85H2,1-6H3,(H,111,114)(H,112,115)(H,113,116)/b107-80+,108-81+,109-82+
InChIKeyZJHFSHUUHMYHBY-MDRSSEROSA-N
MW1722.45 g/mol
LogP26.99
Rot. Bonds77

About 2-[4-[3-cyano-2-[2-[(2E)-2-[(3,4-didecoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-6-[4-[2-[(2E)-2-[(3,4-didecoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-4-pyridinyl]phenoxy]-N-[(E)-(3,4-didecoxyphenyl)methylideneamino]acetamide

2-[4-[3-cyano-2-[2-[(2E)-2-[(3,4-didecoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-6-[4-[2-[(2E)-2-[(3,4-didecoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-4-pyridinyl]phenoxy]-N-[(E)-(3,4-didecoxyphenyl)methylideneamino]acetamide (PubChem CID 177476433) has the molecular formula C105H156N8O12 and a molecular weight of 1722.45 g/mol. Its IUPAC name is 2-[4-[3-cyano-2-[2-[(2E)-2-[(3,4-didecoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-6-[4-[2-[(2E)-2-[(3,4-didecoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-4-pyridinyl]phenoxy]-N-[(E)-(3,4-didecoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[4-[3-cyano-2-[2-[(2E)-2-[(3,4-didecoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-6-[4-[2-[(2E)-2-[(3,4-didecoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-4-pyridinyl]phenoxy]-N-[(E)-(3,4-didecoxyphenyl)methylideneamino]acetamide
PubChem CID177476433
Molecular FormulaC105H156N8O12
Molecular Weight1722.45 g/mol
Exact Mass1721.18
IUPAC Name2-[4-[3-cyano-2-[2-[(2E)-2-[(3,4-didecoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-6-[4-[2-[(2E)-2-[(3,4-didecoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-4-pyridinyl]phenoxy]-N-[(E)-(3,4-didecoxyphenyl)methylideneamino]acetamide
SMILESCCCCCCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(-c3cc(-c4ccc(OCC(=O)N/N=C/c5ccc(OCCCCCCCCCC)c(OCCCCCCCCCC)c5)cc4)c(C#N)c(OCC(=O)N/N=C/c4ccc(OCCCCCCCCCC)c(OCCCCCCCCCC)c4)n3)cc2)cc1OCCCCCCCCCC
InChIInChI=1S/C105H156N8O12/c1-7-13-19-25-31-37-43-49-69-117-96-66-55-86(75-99(96)120-72-52-46-40-34-28-22-16-10-4)80-107-111-102(114)83-123-91-62-58-89(59-63-91)93-78-95(110-105(94(93)79-106)125-85-104(116)113-109-82-88-57-68-98(119-71-51-45-39-33-27-21-15-9-3)101(77-88)122-74-54-48-42-36-30-24-18-12-6)90-60-64-92(65-61-90)124-84-103(115)112-108-81-87-56-67-97(118-70-50-44-38-32-26-20-14-8-2)100(76-87)121-73-53-47-41-35-29-23-17-11-5/h55-68,75-78,80-82H,7-54,69-74,83-85H2,1-6H3,(H,111,114)(H,112,115)(H,113,116)/b107-80+,108-81+,109-82+
InChIKeyZJHFSHUUHMYHBY-MDRSSEROSA-N
XLogP26.99
TPSA244.13 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds77
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001722.45
LogP ≤ 526.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 2-[4-[3-cyano-2-[2-[(2E)-2-[(3,4-didecoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-6-[4-[2-[(2E)-2-[(3,4-didecoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-4-pyridinyl]phenoxy]-N-[(E)-(3,4-didecoxyphenyl)methylideneamino]acetamide with MolForge

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Related Compounds

2-(4-cyanophenoxy)-N-[(4-hexoxyphenyl)methylideneamino]acetamide
CID 2431577
2-[4-[(Z)-1-cyano-2-(3-dodecoxy-4-methylphenyl)ethenyl]phenoxy]-N-[(E)-(4-methylphenyl)methylideneamino]acetamide
CID 172982944
2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19190069
N-[(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 110515387
N-[(E)-(4-hexoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 19190689
2-(2-bromo-4-phenylphenoxy)-N-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19190081
2-[4-[1-cyano-2-(3,4-didodecoxyphenyl)ethenyl]phenoxy]acetohydrazide
CID 152594223
2-(4-chlorophenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide
CID 19190680
2-(4-ethylphenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide
CID 19190683
N-[(E)-benzylideneamino]-2-(4-octoxyphenoxy)acetamide
CID 46501793
N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19190055
2-[2-[(3,4-dioctoxyphenyl)methylidene]hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
CID 168572027

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-cyano-2-[2-[(2E)-2-[(3,4-didecoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-6-[4-[2-[(2E)-2-[(3,4-didecoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-4-pyridinyl]phenoxy]-N-[(E)-(3,4-didecoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[4-[3-cyano-2-[2-[(2E)-2-[(3,4-didecoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-6-[4-[2-[(2E)-2-[(3,4-didecoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-4-pyridinyl]phenoxy]-N-[(E)-(3,4-didecoxyphenyl)methylideneamino]acetamide (CID 177476433) is 2-[4-[3-cyano-2-[2-[(2E)-2-[(3,4-didecoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-6-[4-[2-[(2E)-2-[(3,4-didecoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-4-pyridinyl]phenoxy]-N-[(E)-(3,4-didecoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[4-[3-cyano-2-[2-[(2E)-2-[(3,4-didecoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-6-[4-[2-[(2E)-2-[(3,4-didecoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-4-pyridinyl]phenoxy]-N-[(E)-(3,4-didecoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[4-[3-cyano-2-[2-[(2E)-2-[(3,4-didecoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-6-[4-[2-[(2E)-2-[(3,4-didecoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-4-pyridinyl]phenoxy]-N-[(E)-(3,4-didecoxyphenyl)methylideneamino]acetamide is CCCCCCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(-c3cc(-c4ccc(OCC(=O)N/N=C/c5ccc(OCCCCCCCCCC)c(OCCCCCCCCCC)c5)cc4)c(C#N)c(OCC(=O)N/N=C/c4ccc(OCCCCCCCCCC)c(OCCCCCCCCCC)c4)n3)cc2)cc1OCCCCCCCCCC.
What is the InChIKey of 2-[4-[3-cyano-2-[2-[(2E)-2-[(3,4-didecoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-6-[4-[2-[(2E)-2-[(3,4-didecoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-4-pyridinyl]phenoxy]-N-[(E)-(3,4-didecoxyphenyl)methylideneamino]acetamide?
The InChIKey is ZJHFSHUUHMYHBY-MDRSSEROSA-N. The full InChI is InChI=1S/C105H156N8O12/c1-7-13-19-25-31-37-43-49-69-117-96-66-55-86(75-99(96)120-72-52-46-40-34-28-22-16-10-4)80-107-111-102(114)83-123-91-62-58-89(59-63-91)93-78-95(110-105(94(93)79-106)125-85-104(116)113-109-82-88-57-68-98(119-71-51-45-39-33-27-21-15-9-3)101(77-88)122-74-54-48-42-36-30-24-18-12-6)90-60-64-92(65-61-90)124-84-103(115)112-108-81-87-56-67-97(118-70-50-44-38-32-26-20-14-8-2)100(76-87)121-73-53-47-41-35-29-23-17-11-5/h55-68,75-78,80-82H,7-54,69-74,83-85H2,1-6H3,(H,111,114)(H,112,115)(H,113,116)/b107-80+,108-81+,109-82+.
What are the key properties of 2-[4-[3-cyano-2-[2-[(2E)-2-[(3,4-didecoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-6-[4-[2-[(2E)-2-[(3,4-didecoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-4-pyridinyl]phenoxy]-N-[(E)-(3,4-didecoxyphenyl)methylideneamino]acetamide?
2-[4-[3-cyano-2-[2-[(2E)-2-[(3,4-didecoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-6-[4-[2-[(2E)-2-[(3,4-didecoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-4-pyridinyl]phenoxy]-N-[(E)-(3,4-didecoxyphenyl)methylideneamino]acetamide has a molecular weight of 1722.45 g/mol, XLogP of 26.99, 77 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-cyano-2-[2-[(2E)-2-[(3,4-didecoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-6-[4-[2-[(2E)-2-[(3,4-didecoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-4-pyridinyl]phenoxy]-N-[(E)-(3,4-didecoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 177476433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).