2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;hepta-2,5-dienediamide

C22H30N2O8 — CID 90247760

IUPAC2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;hepta-2,5-dienediamide
SMILESC=CC(=O)OCC(CC)(COC(=O)C=C)COC(=O)C=C.NC(=O)C=CCC=CC(N)=O
InChIInChI=1S/C15H20O6.C7H10N2O2/c1-5-12(16)19-9-15(8-4,10-20-13(17)6-2)11-21-14(18)7-3;8-6(10)4-2-1-3-5-7(9)11/h5-7H,1-3,8-11H2,4H3;2-5H,1H2,(H2,8,10)(H2,9,11)
InChIKeyCXALZLDMWWINPA-UHFFFAOYSA-N
MW450.49 g/mol
LogP1.03
Rot. Bonds14

About 2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;hepta-2,5-dienediamide

2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;hepta-2,5-dienediamide (PubChem CID 90247760) has the molecular formula C22H30N2O8 and a molecular weight of 450.49 g/mol. Its IUPAC name is 2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;hepta-2,5-dienediamide.

Molecular Properties

Compound Name2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;hepta-2,5-dienediamide
PubChem CID90247760
Molecular FormulaC22H30N2O8
Molecular Weight450.49 g/mol
Exact Mass450.20
IUPAC Name2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;hepta-2,5-dienediamide
SMILESC=CC(=O)OCC(CC)(COC(=O)C=C)COC(=O)C=C.NC(=O)C=CCC=CC(N)=O
InChIInChI=1S/C15H20O6.C7H10N2O2/c1-5-12(16)19-9-15(8-4,10-20-13(17)6-2)11-21-14(18)7-3;8-6(10)4-2-1-3-5-7(9)11/h5-7H,1-3,8-11H2,4H3;2-5H,1H2,(H2,8,10)(H2,9,11)
InChIKeyCXALZLDMWWINPA-UHFFFAOYSA-N
XLogP1.03
TPSA165.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;methane;4-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 161238542
bis[2,2-bis(prop-2-enoyloxymethyl)butyl] (E)-hex-3-enedioate
CID 170682315
2,2-bis(prop-2-enoyloxymethyl)butyl 2,2-dimethyl-3-prop-2-enoyloxypropanoate
CID 90842874
2,2-bis(prop-2-enoyloxymethyl)butyl but-3-enoate
CID 166944180
bis[2,2-bis(prop-2-enoyloxymethyl)butyl] cyclohexane-1,4-dicarboxylate
CID 170682343
boranuide;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 161197836
hepta-2,5-dienediamide;prop-2-enoic acid
CID 159289765
2-[2-[2-[2-[2-[2-[2,2-bis[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 173016029
[2-(phenoxymethoxymethyl)-2-(prop-2-enoyloxymethyl)butyl] prop-2-enoate
CID 20746570
(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate
CID 16680
2-[2,2-bis(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl prop-2-enoate;2-[2-(2-hydroxyethoxymethyl)-2-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl prop-2-enoate
CID 158223909
[3-[2,2-bis(prop-2-enoyloxymethyl)butoxy]-3-oxopropyl]phosphonic acid
CID 58664670

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;hepta-2,5-dienediamide?
The IUPAC name of 2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;hepta-2,5-dienediamide (CID 90247760) is 2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;hepta-2,5-dienediamide.
What is the SMILES notation for 2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;hepta-2,5-dienediamide?
The canonical SMILES for 2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;hepta-2,5-dienediamide is C=CC(=O)OCC(CC)(COC(=O)C=C)COC(=O)C=C.NC(=O)C=CCC=CC(N)=O.
What is the InChIKey of 2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;hepta-2,5-dienediamide?
The InChIKey is CXALZLDMWWINPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O6.C7H10N2O2/c1-5-12(16)19-9-15(8-4,10-20-13(17)6-2)11-21-14(18)7-3;8-6(10)4-2-1-3-5-7(9)11/h5-7H,1-3,8-11H2,4H3;2-5H,1H2,(H2,8,10)(H2,9,11).
What are the key properties of 2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;hepta-2,5-dienediamide?
2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;hepta-2,5-dienediamide has a molecular weight of 450.49 g/mol, XLogP of 1.03, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;hepta-2,5-dienediamide is sourced from PubChem (CID 90247760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).