2-[[2-(2-prop-2-enoyloxyethoxycarbamoyl)benzoyl]amino]oxyethyl prop-2-enoate

C18H20N2O8 — CID 88525710

IUPAC2-[[2-(2-prop-2-enoyloxyethoxycarbamoyl)benzoyl]amino]oxyethyl prop-2-enoate
SMILESC=CC(=O)OCCONC(=O)c1ccccc1C(=O)NOCCOC(=O)C=C
InChIInChI=1S/C18H20N2O8/c1-3-15(21)25-9-11-27-19-17(23)13-7-5-6-8-14(13)18(24)20-28-12-10-26-16(22)4-2/h3-8H,1-2,9-12H2,(H,19,23)(H,20,24)
InChIKeyRTJNHORGYJXKIF-UHFFFAOYSA-N
MW392.36 g/mol
LogP0.47
Rot. Bonds12

About 2-[[2-(2-prop-2-enoyloxyethoxycarbamoyl)benzoyl]amino]oxyethyl prop-2-enoate

2-[[2-(2-prop-2-enoyloxyethoxycarbamoyl)benzoyl]amino]oxyethyl prop-2-enoate (PubChem CID 88525710) has the molecular formula C18H20N2O8 and a molecular weight of 392.36 g/mol. Its IUPAC name is 2-[[2-(2-prop-2-enoyloxyethoxycarbamoyl)benzoyl]amino]oxyethyl prop-2-enoate.

Molecular Properties

Compound Name2-[[2-(2-prop-2-enoyloxyethoxycarbamoyl)benzoyl]amino]oxyethyl prop-2-enoate
PubChem CID88525710
Molecular FormulaC18H20N2O8
Molecular Weight392.36 g/mol
Exact Mass392.12
IUPAC Name2-[[2-(2-prop-2-enoyloxyethoxycarbamoyl)benzoyl]amino]oxyethyl prop-2-enoate
SMILESC=CC(=O)OCCONC(=O)c1ccccc1C(=O)NOCCOC(=O)C=C
InChIInChI=1S/C18H20N2O8/c1-3-15(21)25-9-11-27-19-17(23)13-7-5-6-8-14(13)18(24)20-28-12-10-26-16(22)4-2/h3-8H,1-2,9-12H2,(H,19,23)(H,20,24)
InChIKeyRTJNHORGYJXKIF-UHFFFAOYSA-N
XLogP0.47
TPSA129.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162086806
2-(2-prop-2-enoyloxyethoxy)benzoic acid
CID 18974630
bis(25-prop-2-enoyloxypentacosyl) benzene-1,2-dicarboxylate
CID 101299992
bis(37-prop-2-enoyloxyheptatriacontyl) benzene-1,2-dicarboxylate
CID 101300004
azanium 2-(2-prop-2-enoyloxyethoxycarbonyl)benzoate
CID 172770687
2-(4-benzylphenyl)ethyl prop-2-enoate
CID 18316835
2-(2-hydroxybenzoyl)peroxyethyl prop-2-enoate
CID 87705823
zinc;phthalate;2-prop-2-enoyloxyethyl 3-prop-2-enoyloxypropanoate
CID 159790873
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-methoxy-N-(2-methoxyethoxy)benzamide
CID 79676030
2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate
CID 53424506
methyl prop-2-enoate;2-phenoxyethyl prop-2-enoate
CID 174741391

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-prop-2-enoyloxyethoxycarbamoyl)benzoyl]amino]oxyethyl prop-2-enoate?
The IUPAC name of 2-[[2-(2-prop-2-enoyloxyethoxycarbamoyl)benzoyl]amino]oxyethyl prop-2-enoate (CID 88525710) is 2-[[2-(2-prop-2-enoyloxyethoxycarbamoyl)benzoyl]amino]oxyethyl prop-2-enoate.
What is the SMILES notation for 2-[[2-(2-prop-2-enoyloxyethoxycarbamoyl)benzoyl]amino]oxyethyl prop-2-enoate?
The canonical SMILES for 2-[[2-(2-prop-2-enoyloxyethoxycarbamoyl)benzoyl]amino]oxyethyl prop-2-enoate is C=CC(=O)OCCONC(=O)c1ccccc1C(=O)NOCCOC(=O)C=C.
What is the InChIKey of 2-[[2-(2-prop-2-enoyloxyethoxycarbamoyl)benzoyl]amino]oxyethyl prop-2-enoate?
The InChIKey is RTJNHORGYJXKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O8/c1-3-15(21)25-9-11-27-19-17(23)13-7-5-6-8-14(13)18(24)20-28-12-10-26-16(22)4-2/h3-8H,1-2,9-12H2,(H,19,23)(H,20,24).
What are the key properties of 2-[[2-(2-prop-2-enoyloxyethoxycarbamoyl)benzoyl]amino]oxyethyl prop-2-enoate?
2-[[2-(2-prop-2-enoyloxyethoxycarbamoyl)benzoyl]amino]oxyethyl prop-2-enoate has a molecular weight of 392.36 g/mol, XLogP of 0.47, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-prop-2-enoyloxyethoxycarbamoyl)benzoyl]amino]oxyethyl prop-2-enoate is sourced from PubChem (CID 88525710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).