2-[2-(3-phenylprop-2-enoyloxy)propan-2-yldiazenyl]propan-2-yl 3-phenylprop-2-enoate

C24H26N2O4 — CID 139630857

IUPAC2-[2-(3-phenylprop-2-enoyloxy)propan-2-yldiazenyl]propan-2-yl 3-phenylprop-2-enoate
SMILESCC(C)(N=NC(C)(C)OC(=O)C=Cc1ccccc1)OC(=O)C=Cc1ccccc1
InChIInChI=1S/C24H26N2O4/c1-23(2,29-21(27)17-15-19-11-7-5-8-12-19)25-26-24(3,4)30-22(28)18-16-20-13-9-6-10-14-20/h5-18H,1-4H3
InChIKeyLJGATPMHFGLPKR-UHFFFAOYSA-N
MW406.48 g/mol
LogP5.42
Rot. Bonds8

About 2-[2-(3-phenylprop-2-enoyloxy)propan-2-yldiazenyl]propan-2-yl 3-phenylprop-2-enoate

2-[2-(3-phenylprop-2-enoyloxy)propan-2-yldiazenyl]propan-2-yl 3-phenylprop-2-enoate (PubChem CID 139630857) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 2-[2-(3-phenylprop-2-enoyloxy)propan-2-yldiazenyl]propan-2-yl 3-phenylprop-2-enoate.

Molecular Properties

Compound Name2-[2-(3-phenylprop-2-enoyloxy)propan-2-yldiazenyl]propan-2-yl 3-phenylprop-2-enoate
PubChem CID139630857
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name2-[2-(3-phenylprop-2-enoyloxy)propan-2-yldiazenyl]propan-2-yl 3-phenylprop-2-enoate
SMILESCC(C)(N=NC(C)(C)OC(=O)C=Cc1ccccc1)OC(=O)C=Cc1ccccc1
InChIInChI=1S/C24H26N2O4/c1-23(2,29-21(27)17-15-19-11-7-5-8-12-19)25-26-24(3,4)30-22(28)18-16-20-13-9-6-10-14-20/h5-18H,1-4H3
InChIKeyLJGATPMHFGLPKR-UHFFFAOYSA-N
XLogP5.42
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.48
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

Analyze 2-[2-(3-phenylprop-2-enoyloxy)propan-2-yldiazenyl]propan-2-yl 3-phenylprop-2-enoate 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

2-methylpentan-2-yl (E)-3-phenylprop-2-enoate
CID 143882607
tert-butyl 3-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 68895336
tert-butyl (2E,4E)-3-methyl-5-phenylpenta-2,4-dienoate
CID 134982649
2-piperidin-4-ylpropan-2-yl (E)-3-phenylprop-2-enoate
CID 155075699
(2-methoxy-2-oxo-1,1-diphenylethyl) 3-phenylprop-2-enoate
CID 75086298
ethane;phenyl 3-phenylprop-2-enoate
CID 90878305
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
acetyl 3-phenylprop-2-enoate
CID 57206996
3-methylbutan-2-yl (E)-3-phenylprop-2-enoate
CID 166681148
lanthanum;(E)-3-phenylprop-2-eneperoxoic acid
CID 122589716
amino 3-phenylprop-2-enoate
CID 67189797
tert-butyl (E)-3-(4-methylphenyl)prop-2-enoate
CID 11458639

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-phenylprop-2-enoyloxy)propan-2-yldiazenyl]propan-2-yl 3-phenylprop-2-enoate?
The IUPAC name of 2-[2-(3-phenylprop-2-enoyloxy)propan-2-yldiazenyl]propan-2-yl 3-phenylprop-2-enoate (CID 139630857) is 2-[2-(3-phenylprop-2-enoyloxy)propan-2-yldiazenyl]propan-2-yl 3-phenylprop-2-enoate.
What is the SMILES notation for 2-[2-(3-phenylprop-2-enoyloxy)propan-2-yldiazenyl]propan-2-yl 3-phenylprop-2-enoate?
The canonical SMILES for 2-[2-(3-phenylprop-2-enoyloxy)propan-2-yldiazenyl]propan-2-yl 3-phenylprop-2-enoate is CC(C)(N=NC(C)(C)OC(=O)C=Cc1ccccc1)OC(=O)C=Cc1ccccc1.
What is the InChIKey of 2-[2-(3-phenylprop-2-enoyloxy)propan-2-yldiazenyl]propan-2-yl 3-phenylprop-2-enoate?
The InChIKey is LJGATPMHFGLPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-23(2,29-21(27)17-15-19-11-7-5-8-12-19)25-26-24(3,4)30-22(28)18-16-20-13-9-6-10-14-20/h5-18H,1-4H3.
What are the key properties of 2-[2-(3-phenylprop-2-enoyloxy)propan-2-yldiazenyl]propan-2-yl 3-phenylprop-2-enoate?
2-[2-(3-phenylprop-2-enoyloxy)propan-2-yldiazenyl]propan-2-yl 3-phenylprop-2-enoate has a molecular weight of 406.48 g/mol, XLogP of 5.42, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-phenylprop-2-enoyloxy)propan-2-yldiazenyl]propan-2-yl 3-phenylprop-2-enoate is sourced from PubChem (CID 139630857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).