6-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]hexyl prop-2-enoate

C23H29N3O3 — CID 122396609

IUPAC6-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]hexyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCN(C)c1ccc(/N=N/c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H29N3O3/c1-4-23(27)29-18-8-6-5-7-17-26(2)21-13-9-19(10-14-21)24-25-20-11-15-22(28-3)16-12-20/h4,9-16H,1,5-8,17-18H2,2-3H3/b25-24+
InChIKeyYPVXFAAUSOHFTQ-OCOZRVBESA-N
MW395.50 g/mol
LogP5.84
Rot. Bonds12

About 6-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]hexyl prop-2-enoate

6-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]hexyl prop-2-enoate (PubChem CID 122396609) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 6-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]hexyl prop-2-enoate.

Molecular Properties

Compound Name6-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]hexyl prop-2-enoate
PubChem CID122396609
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name6-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]hexyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCN(C)c1ccc(/N=N/c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H29N3O3/c1-4-23(27)29-18-8-6-5-7-17-26(2)21-13-9-19(10-14-21)24-25-20-11-15-22(28-3)16-12-20/h4,9-16H,1,5-8,17-18H2,2-3H3/b25-24+
InChIKeyYPVXFAAUSOHFTQ-OCOZRVBESA-N
XLogP5.84
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[4-[4-[[4-[methyl(4-prop-2-enoyloxybutyl)amino]phenyl]diazenyl]benzoyl]oxyphenyl] 4-[[4-[methyl(4-prop-2-enoyloxybutyl)amino]phenyl]diazenyl]benzoate
CID 155624241
methyl 4-[[4-(8-prop-2-enoyloxyoctoxy)phenyl]diazenyl]benzoate
CID 20615391
6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexyl prop-2-enoate
CID 101498124
[4-[[4-[[2-fluoro-4-[[4-[methyl(2-prop-2-enoyloxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl] heptanoate
CID 164843008
4-[4-[[4-[[2-methyl-4-[[2-methyl-4-[[4-(4-prop-2-enoyloxybutoxy)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenoxy]butyl prop-2-enoate;4-[4-[[4-[[2-methyl-4-[[4-(4-prop-2-enoyloxybutoxy)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenoxy]butyl prop-2-enoate;4-[4-[4-[[4-[[2-methyl-4-[[4-(4-prop-2-enoyloxybutoxy)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]phenoxy]butyl prop-2-enoate;4-[4-[[4-[[2-methyl-4-[[4-(4-prop-2-enoyloxybutoxy)phenyl]methylideneamino]phenyl]diazenyl]phenyl]iminomethyl]phenoxy]butyl prop-2-enoate;[4-[4-[[4-[methyl(4-prop-2-enoyloxybutyl)amino]phenyl]diazenyl]benzoyl]oxyphenyl] 4-[[4-[methyl(4-prop-2-enoyloxybutyl)amino]phenyl]diazenyl]benzoate;6-[4-[[4-[[2-methyl-4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenoxy]hexyl prop-2-enoate;8-[4-[[4-[[2-methyl-4-[[4-(8-prop-2-enoyloxyoctoxy)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenoxy]octyl prop-2-enoate;4-[4-[[4-[[4-(4-prop-2-enoyloxybutoxy)phenyl]diazenyl]phenyl]diazenyl]phenoxy]butyl prop-2-enoate;4-[4-[[4-[4-[[4-(4-prop-2-enoyloxybutoxy)phenyl]diazenyl]phenyl]phenyl]diazenyl]phenoxy]butyl prop-2-enoate
CID 162262035
9-[[6-[[2-methyl-4-[[4-[methyl(2-prop-2-enoyloxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]-3-pyridinyl]oxy]nonyl propanoate
CID 156628746
N-[2-(4-methoxy-N-methylanilino)ethyl]-N-methylprop-2-enamide
CID 146106049
2-[4-[[4-[[4-(9-acetyloxynonoxy)phenyl]diazenyl]phenyl]diazenyl]-N-methylanilino]ethyl propanoate
CID 164806359
2-[N-methyl-4-[[4-(2-methylbutylsulfonyl)phenyl]diazenyl]anilino]ethyl prop-2-enoate
CID 19020022
2-[2-[2-[2-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]ethoxy]ethoxy]ethoxy]ethanol
CID 122208894
2-[4-[[3-fluoro-4-[[4-[(4-hexylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-methylanilino]ethyl prop-2-enoate
CID 164843020
3-[4-[[4-[[4-(2-prop-2-enoyloxyethyl)phenyl]diazenyl]phenyl]diazenyl]phenoxy]propyl prop-2-enoate
CID 122548317

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]hexyl prop-2-enoate?
The IUPAC name of 6-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]hexyl prop-2-enoate (CID 122396609) is 6-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]hexyl prop-2-enoate.
What is the SMILES notation for 6-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]hexyl prop-2-enoate?
The canonical SMILES for 6-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]hexyl prop-2-enoate is C=CC(=O)OCCCCCCN(C)c1ccc(/N=N/c2ccc(OC)cc2)cc1.
What is the InChIKey of 6-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]hexyl prop-2-enoate?
The InChIKey is YPVXFAAUSOHFTQ-OCOZRVBESA-N. The full InChI is InChI=1S/C23H29N3O3/c1-4-23(27)29-18-8-6-5-7-17-26(2)21-13-9-19(10-14-21)24-25-20-11-15-22(28-3)16-12-20/h4,9-16H,1,5-8,17-18H2,2-3H3/b25-24+.
What are the key properties of 6-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]hexyl prop-2-enoate?
6-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]hexyl prop-2-enoate has a molecular weight of 395.50 g/mol, XLogP of 5.84, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]hexyl prop-2-enoate is sourced from PubChem (CID 122396609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).