8-[4-[[4-[[4-[bis(2-methoxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenoxy]octyl propanoate

C35H47N5O5 — CID 166512691

IUPAC8-[4-[[4-[[4-[bis(2-methoxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenoxy]octyl propanoate
SMILESCCC(=O)OCCCCCCCCOc1ccc(/N=N/c2ccc(/N=N/c3ccc(N(CCOC)CCOC)cc3)cc2)cc1
InChIInChI=1S/C35H47N5O5/c1-4-35(41)45-26-10-8-6-5-7-9-25-44-34-21-17-32(18-22-34)39-37-30-13-11-29(12-14-30)36-38-31-15-19-33(20-16-31)40(23-27-42-2)24-28-43-3/h11-22H,4-10,23-28H2,1-3H3/b38-36+,39-37+
InChIKeyUVZZQSULLILRMD-NFSGFYSESA-N
MW617.79 g/mol
LogP9.29
Rot. Bonds22

About 8-[4-[[4-[[4-[bis(2-methoxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenoxy]octyl propanoate

8-[4-[[4-[[4-[bis(2-methoxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenoxy]octyl propanoate (PubChem CID 166512691) has the molecular formula C35H47N5O5 and a molecular weight of 617.79 g/mol. Its IUPAC name is 8-[4-[[4-[[4-[bis(2-methoxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenoxy]octyl propanoate.

Molecular Properties

Compound Name8-[4-[[4-[[4-[bis(2-methoxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenoxy]octyl propanoate
PubChem CID166512691
Molecular FormulaC35H47N5O5
Molecular Weight617.79 g/mol
Exact Mass617.36
IUPAC Name8-[4-[[4-[[4-[bis(2-methoxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenoxy]octyl propanoate
SMILESCCC(=O)OCCCCCCCCOc1ccc(/N=N/c2ccc(/N=N/c3ccc(N(CCOC)CCOC)cc3)cc2)cc1
InChIInChI=1S/C35H47N5O5/c1-4-35(41)45-26-10-8-6-5-7-9-25-44-34-21-17-32(18-22-34)39-37-30-13-11-29(12-14-30)36-38-31-15-19-33(20-16-31)40(23-27-42-2)24-28-43-3/h11-22H,4-10,23-28H2,1-3H3/b38-36+,39-37+
InChIKeyUVZZQSULLILRMD-NFSGFYSESA-N
XLogP9.29
TPSA106.67 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.79
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 8-[4-[[4-[[4-[bis(2-methoxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenoxy]octyl propanoate 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

7-[4-[[4-[[4-[ethyl(2-propanoyloxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenoxy]heptyl butanoate
CID 174198662
2-[4-[[4-[[4-(9-acetyloxynonoxy)phenyl]diazenyl]phenyl]diazenyl]-N-methylanilino]ethyl propanoate
CID 164806359
2-[N-ethyl-4-[[4-(2-methoxyethoxy)phenyl]diazenyl]anilino]ethanol
CID 21022593
6-[4-[[4-[[2-methyl-4-[[4-(6-propanoyloxyhexoxy)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenoxy]hexyl propanoate
CID 168837449
5-[4-[[4-[[2-methyl-4-[[4-(5-propanoyloxypentoxy)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenoxy]pentyl propanoate
CID 167376064
9-[4-[[4-[(4-thiomorpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenoxy]nonyl propanoate
CID 156628724
10-[4-[[4-[10-(dimethylamino)decoxy]phenyl]diazenyl]phenoxy]-N,N-dimethyldecan-1-amine
CID 101082704
4-[4-[[4-(diethylamino)phenyl]diazenyl]phenoxy]butyl 2-tert-butyl-4,4-dimethylpentanoate
CID 130352027
9-[4-[[2-[[4-(dimethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenoxy]nonyl propanoate
CID 169302322
(4-butoxyphenyl)-[4-[8-[4-[(4-butoxyphenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 101490875
4-[4-[(4-butoxyphenyl)diazenyl]benzoyl]oxybutyl 4-[(4-butoxyphenyl)diazenyl]benzoate
CID 102178848
methyl 4-(4-propanoyloxybutoxy)benzoate
CID 58898433

Frequently Asked Questions

What is the IUPAC name of 8-[4-[[4-[[4-[bis(2-methoxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenoxy]octyl propanoate?
The IUPAC name of 8-[4-[[4-[[4-[bis(2-methoxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenoxy]octyl propanoate (CID 166512691) is 8-[4-[[4-[[4-[bis(2-methoxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenoxy]octyl propanoate.
What is the SMILES notation for 8-[4-[[4-[[4-[bis(2-methoxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenoxy]octyl propanoate?
The canonical SMILES for 8-[4-[[4-[[4-[bis(2-methoxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenoxy]octyl propanoate is CCC(=O)OCCCCCCCCOc1ccc(/N=N/c2ccc(/N=N/c3ccc(N(CCOC)CCOC)cc3)cc2)cc1.
What is the InChIKey of 8-[4-[[4-[[4-[bis(2-methoxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenoxy]octyl propanoate?
The InChIKey is UVZZQSULLILRMD-NFSGFYSESA-N. The full InChI is InChI=1S/C35H47N5O5/c1-4-35(41)45-26-10-8-6-5-7-9-25-44-34-21-17-32(18-22-34)39-37-30-13-11-29(12-14-30)36-38-31-15-19-33(20-16-31)40(23-27-42-2)24-28-43-3/h11-22H,4-10,23-28H2,1-3H3/b38-36+,39-37+.
What are the key properties of 8-[4-[[4-[[4-[bis(2-methoxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenoxy]octyl propanoate?
8-[4-[[4-[[4-[bis(2-methoxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenoxy]octyl propanoate has a molecular weight of 617.79 g/mol, XLogP of 9.29, 22 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[[4-[[4-[bis(2-methoxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenoxy]octyl propanoate is sourced from PubChem (CID 166512691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).