2-[N-(2-hydroxyethyl)-4-[[4-(prop-2-enoylamino)phenyl]diazenyl]anilino]ethyl prop-2-enoate

C22H24N4O4 — CID 130465056

IUPAC2-[N-(2-hydroxyethyl)-4-[[4-(prop-2-enoylamino)phenyl]diazenyl]anilino]ethyl prop-2-enoate
SMILESC=CC(=O)Nc1ccc(/N=N/c2ccc(N(CCO)CCOC(=O)C=C)cc2)cc1
InChIInChI=1S/C22H24N4O4/c1-3-21(28)23-17-5-7-18(8-6-17)24-25-19-9-11-20(12-10-19)26(13-15-27)14-16-30-22(29)4-2/h3-12,27H,1-2,13-16H2,(H,23,28)/b25-24+
InChIKeySRNHWENPFJBCKI-OCOZRVBESA-N
MW408.46 g/mol
LogP3.75
Rot. Bonds11

About 2-[N-(2-hydroxyethyl)-4-[[4-(prop-2-enoylamino)phenyl]diazenyl]anilino]ethyl prop-2-enoate

2-[N-(2-hydroxyethyl)-4-[[4-(prop-2-enoylamino)phenyl]diazenyl]anilino]ethyl prop-2-enoate (PubChem CID 130465056) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 2-[N-(2-hydroxyethyl)-4-[[4-(prop-2-enoylamino)phenyl]diazenyl]anilino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[N-(2-hydroxyethyl)-4-[[4-(prop-2-enoylamino)phenyl]diazenyl]anilino]ethyl prop-2-enoate
PubChem CID130465056
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name2-[N-(2-hydroxyethyl)-4-[[4-(prop-2-enoylamino)phenyl]diazenyl]anilino]ethyl prop-2-enoate
SMILESC=CC(=O)Nc1ccc(/N=N/c2ccc(N(CCO)CCOC(=O)C=C)cc2)cc1
InChIInChI=1S/C22H24N4O4/c1-3-21(28)23-17-5-7-18(8-6-17)24-25-19-9-11-20(12-10-19)26(13-15-27)14-16-30-22(29)4-2/h3-12,27H,1-2,13-16H2,(H,23,28)/b25-24+
InChIKeySRNHWENPFJBCKI-OCOZRVBESA-N
XLogP3.75
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethanol;2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethyl prop-2-enoate
CID 158565238
2-[N-ethyl-4-[(4-nitrosophenyl)diazenyl]anilino]ethyl prop-2-enoate
CID 87412965
[4-[[4-(prop-2-enoylamino)phenyl]diazenyl]phenyl] prop-2-enoate
CID 138481562
2-[4-methyl-N-(2-prop-2-enoyloxyethyl)anilino]ethyl prop-2-enoate
CID 59017027
N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 21498516
2-[4-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]-N-methylanilino]ethyl 2-methylpropanoate
CID 142226495
1-[4-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone
CID 134216748
6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexyl prop-2-enoate
CID 101498124
2-[4-[[4-[[2,3-difluoro-4-(3-oxopentoxy)phenyl]diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl prop-2-enoate
CID 161427329
2-[4-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]-N-methylanilino]ethyl 2,2-dimethylbutanoate
CID 58814555
2-[N-methyl-4-[[4-(2-methylbutylsulfonyl)phenyl]diazenyl]anilino]ethyl prop-2-enoate
CID 19020022
6-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]hexyl prop-2-enoate
CID 122396609

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-hydroxyethyl)-4-[[4-(prop-2-enoylamino)phenyl]diazenyl]anilino]ethyl prop-2-enoate?
The IUPAC name of 2-[N-(2-hydroxyethyl)-4-[[4-(prop-2-enoylamino)phenyl]diazenyl]anilino]ethyl prop-2-enoate (CID 130465056) is 2-[N-(2-hydroxyethyl)-4-[[4-(prop-2-enoylamino)phenyl]diazenyl]anilino]ethyl prop-2-enoate.
What is the SMILES notation for 2-[N-(2-hydroxyethyl)-4-[[4-(prop-2-enoylamino)phenyl]diazenyl]anilino]ethyl prop-2-enoate?
The canonical SMILES for 2-[N-(2-hydroxyethyl)-4-[[4-(prop-2-enoylamino)phenyl]diazenyl]anilino]ethyl prop-2-enoate is C=CC(=O)Nc1ccc(/N=N/c2ccc(N(CCO)CCOC(=O)C=C)cc2)cc1.
What is the InChIKey of 2-[N-(2-hydroxyethyl)-4-[[4-(prop-2-enoylamino)phenyl]diazenyl]anilino]ethyl prop-2-enoate?
The InChIKey is SRNHWENPFJBCKI-OCOZRVBESA-N. The full InChI is InChI=1S/C22H24N4O4/c1-3-21(28)23-17-5-7-18(8-6-17)24-25-19-9-11-20(12-10-19)26(13-15-27)14-16-30-22(29)4-2/h3-12,27H,1-2,13-16H2,(H,23,28)/b25-24+.
What are the key properties of 2-[N-(2-hydroxyethyl)-4-[[4-(prop-2-enoylamino)phenyl]diazenyl]anilino]ethyl prop-2-enoate?
2-[N-(2-hydroxyethyl)-4-[[4-(prop-2-enoylamino)phenyl]diazenyl]anilino]ethyl prop-2-enoate has a molecular weight of 408.46 g/mol, XLogP of 3.75, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-hydroxyethyl)-4-[[4-(prop-2-enoylamino)phenyl]diazenyl]anilino]ethyl prop-2-enoate is sourced from PubChem (CID 130465056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).