ethyl N-(4-hydroxyphenyl)carbamate;2-[(4-prop-2-enoylperoxyphenyl)carbamoyloxy]ethyl prop-2-enoate

C24H26N2O10 — CID 173466196

IUPACethyl N-(4-hydroxyphenyl)carbamate;2-[(4-prop-2-enoylperoxyphenyl)carbamoyloxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(=O)Nc1ccc(OOC(=O)C=C)cc1.CCOC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C15H15NO7.C9H11NO3/c1-3-13(17)20-9-10-21-15(19)16-11-5-7-12(8-6-11)22-23-14(18)4-2;1-2-13-9(12)10-7-3-5-8(11)6-4-7/h3-8H,1-2,9-10H2,(H,16,19);3-6,11H,2H2,1H3,(H,10,12)
InChIKeyDRESMIGMYFYTAM-UHFFFAOYSA-N
MW502.48 g/mol
LogP3.95
Rot. Bonds10

About ethyl N-(4-hydroxyphenyl)carbamate;2-[(4-prop-2-enoylperoxyphenyl)carbamoyloxy]ethyl prop-2-enoate

ethyl N-(4-hydroxyphenyl)carbamate;2-[(4-prop-2-enoylperoxyphenyl)carbamoyloxy]ethyl prop-2-enoate (PubChem CID 173466196) has the molecular formula C24H26N2O10 and a molecular weight of 502.48 g/mol. Its IUPAC name is ethyl N-(4-hydroxyphenyl)carbamate;2-[(4-prop-2-enoylperoxyphenyl)carbamoyloxy]ethyl prop-2-enoate.

Molecular Properties

Compound Nameethyl N-(4-hydroxyphenyl)carbamate;2-[(4-prop-2-enoylperoxyphenyl)carbamoyloxy]ethyl prop-2-enoate
PubChem CID173466196
Molecular FormulaC24H26N2O10
Molecular Weight502.48 g/mol
Exact Mass502.16
IUPAC Nameethyl N-(4-hydroxyphenyl)carbamate;2-[(4-prop-2-enoylperoxyphenyl)carbamoyloxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(=O)Nc1ccc(OOC(=O)C=C)cc1.CCOC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C15H15NO7.C9H11NO3/c1-3-13(17)20-9-10-21-15(19)16-11-5-7-12(8-6-11)22-23-14(18)4-2;1-2-13-9(12)10-7-3-5-8(11)6-4-7/h3-8H,1-2,9-10H2,(H,16,19);3-6,11H,2H2,1H3,(H,10,12)
InChIKeyDRESMIGMYFYTAM-UHFFFAOYSA-N
XLogP3.95
TPSA158.72 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.48
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-hydroxyphenyl)carbamate;2-[(4-prop-2-enoylperoxyphenyl)carbamoyloxy]ethyl prop-2-enoate?
The IUPAC name of ethyl N-(4-hydroxyphenyl)carbamate;2-[(4-prop-2-enoylperoxyphenyl)carbamoyloxy]ethyl prop-2-enoate (CID 173466196) is ethyl N-(4-hydroxyphenyl)carbamate;2-[(4-prop-2-enoylperoxyphenyl)carbamoyloxy]ethyl prop-2-enoate.
What is the SMILES notation for ethyl N-(4-hydroxyphenyl)carbamate;2-[(4-prop-2-enoylperoxyphenyl)carbamoyloxy]ethyl prop-2-enoate?
The canonical SMILES for ethyl N-(4-hydroxyphenyl)carbamate;2-[(4-prop-2-enoylperoxyphenyl)carbamoyloxy]ethyl prop-2-enoate is C=CC(=O)OCCOC(=O)Nc1ccc(OOC(=O)C=C)cc1.CCOC(=O)Nc1ccc(O)cc1.
What is the InChIKey of ethyl N-(4-hydroxyphenyl)carbamate;2-[(4-prop-2-enoylperoxyphenyl)carbamoyloxy]ethyl prop-2-enoate?
The InChIKey is DRESMIGMYFYTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO7.C9H11NO3/c1-3-13(17)20-9-10-21-15(19)16-11-5-7-12(8-6-11)22-23-14(18)4-2;1-2-13-9(12)10-7-3-5-8(11)6-4-7/h3-8H,1-2,9-10H2,(H,16,19);3-6,11H,2H2,1H3,(H,10,12).
What are the key properties of ethyl N-(4-hydroxyphenyl)carbamate;2-[(4-prop-2-enoylperoxyphenyl)carbamoyloxy]ethyl prop-2-enoate?
ethyl N-(4-hydroxyphenyl)carbamate;2-[(4-prop-2-enoylperoxyphenyl)carbamoyloxy]ethyl prop-2-enoate has a molecular weight of 502.48 g/mol, XLogP of 3.95, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-hydroxyphenyl)carbamate;2-[(4-prop-2-enoylperoxyphenyl)carbamoyloxy]ethyl prop-2-enoate is sourced from PubChem (CID 173466196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).