N-[3,5-bis[(E)-2-(3,4-didecoxyphenyl)ethenyl]phenyl]-3,4-didecoxybenzamide

C89H143NO7 — CID 132525943

IUPACN-[3,5-bis[(E)-2-(3,4-didecoxyphenyl)ethenyl]phenyl]-3,4-didecoxybenzamide
SMILESCCCCCCCCCCOc1ccc(/C=C/c2cc(/C=C/c3ccc(OCCCCCCCCCC)c(OCCCCCCCCCC)c3)cc(NC(=O)c3ccc(OCCCCCCCCCC)c(OCCCCCCCCCC)c3)c2)cc1OCCCCCCCCCC
InChIInChI=1S/C89H143NO7/c1-7-13-19-25-31-37-43-49-65-92-83-62-59-77(74-86(83)95-68-52-46-40-34-28-22-16-10-4)55-57-79-71-80(58-56-78-60-63-84(93-66-50-44-38-32-26-20-14-8-2)87(75-78)96-69-53-47-41-35-29-23-17-11-5)73-82(72-79)90-89(91)81-61-64-85(94-67-51-45-39-33-27-21-15-9-3)88(76-81)97-70-54-48-42-36-30-24-18-12-6/h55-64,71-76H,7-54,65-70H2,1-6H3,(H,90,91)/b57-55+,58-56+
InChIKeyFGFSDAVRGOVSGY-NCCSDIRBSA-N
MW1339.12 g/mol
LogP28.40
Rot. Bonds66

About N-[3,5-bis[(E)-2-(3,4-didecoxyphenyl)ethenyl]phenyl]-3,4-didecoxybenzamide

N-[3,5-bis[(E)-2-(3,4-didecoxyphenyl)ethenyl]phenyl]-3,4-didecoxybenzamide (PubChem CID 132525943) has the molecular formula C89H143NO7 and a molecular weight of 1339.12 g/mol. Its IUPAC name is N-[3,5-bis[(E)-2-(3,4-didecoxyphenyl)ethenyl]phenyl]-3,4-didecoxybenzamide.

Molecular Properties

Compound NameN-[3,5-bis[(E)-2-(3,4-didecoxyphenyl)ethenyl]phenyl]-3,4-didecoxybenzamide
PubChem CID132525943
Molecular FormulaC89H143NO7
Molecular Weight1339.12 g/mol
Exact Mass1338.09
IUPAC NameN-[3,5-bis[(E)-2-(3,4-didecoxyphenyl)ethenyl]phenyl]-3,4-didecoxybenzamide
SMILESCCCCCCCCCCOc1ccc(/C=C/c2cc(/C=C/c3ccc(OCCCCCCCCCC)c(OCCCCCCCCCC)c3)cc(NC(=O)c3ccc(OCCCCCCCCCC)c(OCCCCCCCCCC)c3)c2)cc1OCCCCCCCCCC
InChIInChI=1S/C89H143NO7/c1-7-13-19-25-31-37-43-49-65-92-83-62-59-77(74-86(83)95-68-52-46-40-34-28-22-16-10-4)55-57-79-71-80(58-56-78-60-63-84(93-66-50-44-38-32-26-20-14-8-2)87(75-78)96-69-53-47-41-35-29-23-17-11-5)73-82(72-79)90-89(91)81-61-64-85(94-67-51-45-39-33-27-21-15-9-3)88(76-81)97-70-54-48-42-36-30-24-18-12-6/h55-64,71-76H,7-54,65-70H2,1-6H3,(H,90,91)/b57-55+,58-56+
InChIKeyFGFSDAVRGOVSGY-NCCSDIRBSA-N
XLogP28.40
TPSA84.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds66
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001339.12
LogP ≤ 528.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[3,5-bis[(E)-2-(3,4-didecoxyphenyl)ethenyl]phenyl]-3,4-didecoxybenzamide 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

1-(3,4-diheptoxyphenyl)ethanone
CID 23127596
1-[3,4-di(nonoxy)phenyl]ethanone
CID 23127426
(1E,4Z,6E)-1,7-bis(3,4-dioctadecoxyphenyl)-5-hydroxyhepta-1,4,6-trien-3-one
CID 177472984
4-hexoxy-3-methoxy-N-pyridin-4-ylbenzamide
CID 60589873
3,4-di(tridecoxy)benzoic acid
CID 66940296
3,4-dipentoxy-N-propan-2-ylbenzamide
CID 3575779
tris[4-[(E)-2-(3,4-dihexoxyphenyl)ethenyl]phenyl]methanol
CID 42624735
pentyl 4-[[(E)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 19236800
3,4-di(tetradecoxy)benzaldehyde
CID 23127451
4-[2-[4-[2-(3,4-didodecoxyphenyl)ethenyl]phenyl]ethenyl]-1,2-dimethylbenzene
CID 167643025
3-bromo-N-(4-heptoxyphenyl)-4-hexoxybenzamide
CID 4959571
N-(3,5-dimethylphenyl)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 4086044

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis[(E)-2-(3,4-didecoxyphenyl)ethenyl]phenyl]-3,4-didecoxybenzamide?
The IUPAC name of N-[3,5-bis[(E)-2-(3,4-didecoxyphenyl)ethenyl]phenyl]-3,4-didecoxybenzamide (CID 132525943) is N-[3,5-bis[(E)-2-(3,4-didecoxyphenyl)ethenyl]phenyl]-3,4-didecoxybenzamide.
What is the SMILES notation for N-[3,5-bis[(E)-2-(3,4-didecoxyphenyl)ethenyl]phenyl]-3,4-didecoxybenzamide?
The canonical SMILES for N-[3,5-bis[(E)-2-(3,4-didecoxyphenyl)ethenyl]phenyl]-3,4-didecoxybenzamide is CCCCCCCCCCOc1ccc(/C=C/c2cc(/C=C/c3ccc(OCCCCCCCCCC)c(OCCCCCCCCCC)c3)cc(NC(=O)c3ccc(OCCCCCCCCCC)c(OCCCCCCCCCC)c3)c2)cc1OCCCCCCCCCC.
What is the InChIKey of N-[3,5-bis[(E)-2-(3,4-didecoxyphenyl)ethenyl]phenyl]-3,4-didecoxybenzamide?
The InChIKey is FGFSDAVRGOVSGY-NCCSDIRBSA-N. The full InChI is InChI=1S/C89H143NO7/c1-7-13-19-25-31-37-43-49-65-92-83-62-59-77(74-86(83)95-68-52-46-40-34-28-22-16-10-4)55-57-79-71-80(58-56-78-60-63-84(93-66-50-44-38-32-26-20-14-8-2)87(75-78)96-69-53-47-41-35-29-23-17-11-5)73-82(72-79)90-89(91)81-61-64-85(94-67-51-45-39-33-27-21-15-9-3)88(76-81)97-70-54-48-42-36-30-24-18-12-6/h55-64,71-76H,7-54,65-70H2,1-6H3,(H,90,91)/b57-55+,58-56+.
What are the key properties of N-[3,5-bis[(E)-2-(3,4-didecoxyphenyl)ethenyl]phenyl]-3,4-didecoxybenzamide?
N-[3,5-bis[(E)-2-(3,4-didecoxyphenyl)ethenyl]phenyl]-3,4-didecoxybenzamide has a molecular weight of 1339.12 g/mol, XLogP of 28.40, 66 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis[(E)-2-(3,4-didecoxyphenyl)ethenyl]phenyl]-3,4-didecoxybenzamide is sourced from PubChem (CID 132525943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).