[4-[[4-(prop-2-enoylamino)phenyl]diazenyl]phenyl] prop-2-enoate

C18H15N3O3 — CID 138481562

IUPAC[4-[[4-(prop-2-enoylamino)phenyl]diazenyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Nc1ccc(/N=N/c2ccc(OC(=O)C=C)cc2)cc1
InChIInChI=1S/C18H15N3O3/c1-3-17(22)19-13-5-7-14(8-6-13)20-21-15-9-11-16(12-10-15)24-18(23)4-2/h3-12H,1-2H2,(H,19,22)/b21-20+
InChIKeyCBYXFFPYROHDFB-QZQOTICOSA-N
MW321.34 g/mol
LogP4.32
Rot. Bonds6

About [4-[[4-(prop-2-enoylamino)phenyl]diazenyl]phenyl] prop-2-enoate

[4-[[4-(prop-2-enoylamino)phenyl]diazenyl]phenyl] prop-2-enoate (PubChem CID 138481562) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is [4-[[4-(prop-2-enoylamino)phenyl]diazenyl]phenyl] prop-2-enoate.

Molecular Properties

Compound Name[4-[[4-(prop-2-enoylamino)phenyl]diazenyl]phenyl] prop-2-enoate
PubChem CID138481562
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name[4-[[4-(prop-2-enoylamino)phenyl]diazenyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Nc1ccc(/N=N/c2ccc(OC(=O)C=C)cc2)cc1
InChIInChI=1S/C18H15N3O3/c1-3-17(22)19-13-5-7-14(8-6-13)20-21-15-9-11-16(12-10-15)24-18(23)4-2/h3-12H,1-2H2,(H,19,22)/b21-20+
InChIKeyCBYXFFPYROHDFB-QZQOTICOSA-N
XLogP4.32
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 21498516
3-oxo-3-[4-(prop-2-enoylamino)phenoxy]propanoic acid
CID 163511042
[4-(prop-2-enoylamino)phenyl] 2-bromo-2-methylpropanoate
CID 102031609
2-[N-(2-hydroxyethyl)-4-[[4-(prop-2-enoylamino)phenyl]diazenyl]anilino]ethyl prop-2-enoate
CID 130465056
[4-(prop-2-enoylamino)phenyl] (E)-3-phenylprop-2-enoate
CID 59668526
[4-(prop-2-enoylamino)phenyl]mercury
CID 67534138
2-methyl-6-[4-[[4-[(5-methyl-4-oxohex-5-enyl)amino]phenyl]diazenyl]anilino]hex-1-en-3-one;bis(2-methyl-N-[4-[[4-[(5-methyl-4-oxohex-5-enyl)amino]phenyl]diazenyl]phenyl]prop-2-enamide);2-methyl-N-[4-[[4-(2-methylprop-2-enoylamino)phenyl]diazenyl]phenyl]prop-2-enamide;bis(2-[4-[[4-[(5-methyl-4-oxohex-5-enyl)amino]phenyl]diazenyl]phenoxy]ethyl 2-methylprop-2-enoate);bis([4-[[4-[(5-methyl-4-oxohex-5-enyl)amino]phenyl]diazenyl]phenyl] 2-methylprop-2-enoate);bis(2-[4-[[4-(2-methylprop-2-enoylamino)phenyl]diazenyl]phenoxy]ethyl 2-methylprop-2-enoate);2-[4-[[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]diazenyl]phenoxy]ethyl 2-methylprop-2-enoate;bis(2-[4-[[4-(2-methylprop-2-enoyloxy)phenyl]diazenyl]phenoxy]ethyl 2-methylprop-2-enoate);[4-[[4-(2-methylprop-2-enoyloxy)phenyl]diazenyl]phenyl] 2-methylprop-2-enoate;N-[4-[[4-(prop-2-enoylamino)phenyl]diazenyl]phenyl]prop-2-enamide;[4-[[4-(prop-2-enoylamino)phenyl]diazenyl]phenyl] prop-2-enoate;[4-[(4-prop-2-enoyloxyphenyl)diazenyl]phenyl] prop-2-enoate
CID 160563577
N-[4-(4-methoxyphenoxy)phenyl]prop-2-enamide
CID 135290524
N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 43616366
N-[4-(4-ethoxyanilino)phenyl]prop-2-enamide
CID 19795365
[4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-(prop-2-enoylamino)benzoate
CID 118216332
[4-(prop-2-enoylamino)phenyl] (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylate
CID 139301347

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(prop-2-enoylamino)phenyl]diazenyl]phenyl] prop-2-enoate?
The IUPAC name of [4-[[4-(prop-2-enoylamino)phenyl]diazenyl]phenyl] prop-2-enoate (CID 138481562) is [4-[[4-(prop-2-enoylamino)phenyl]diazenyl]phenyl] prop-2-enoate.
What is the SMILES notation for [4-[[4-(prop-2-enoylamino)phenyl]diazenyl]phenyl] prop-2-enoate?
The canonical SMILES for [4-[[4-(prop-2-enoylamino)phenyl]diazenyl]phenyl] prop-2-enoate is C=CC(=O)Nc1ccc(/N=N/c2ccc(OC(=O)C=C)cc2)cc1.
What is the InChIKey of [4-[[4-(prop-2-enoylamino)phenyl]diazenyl]phenyl] prop-2-enoate?
The InChIKey is CBYXFFPYROHDFB-QZQOTICOSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-3-17(22)19-13-5-7-14(8-6-13)20-21-15-9-11-16(12-10-15)24-18(23)4-2/h3-12H,1-2H2,(H,19,22)/b21-20+.
What are the key properties of [4-[[4-(prop-2-enoylamino)phenyl]diazenyl]phenyl] prop-2-enoate?
[4-[[4-(prop-2-enoylamino)phenyl]diazenyl]phenyl] prop-2-enoate has a molecular weight of 321.34 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(prop-2-enoylamino)phenyl]diazenyl]phenyl] prop-2-enoate is sourced from PubChem (CID 138481562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).