tert-butyl (E)-3-(2-carbamoyl-4-hydroxyphenyl)prop-2-enoate

C14H17NO4 — CID 69232306

IUPACtert-butyl (E)-3-(2-carbamoyl-4-hydroxyphenyl)prop-2-enoate
SMILESCC(C)(C)OC(=O)/C=C/c1ccc(O)cc1C(N)=O
InChIInChI=1S/C14H17NO4/c1-14(2,3)19-12(17)7-5-9-4-6-10(16)8-11(9)13(15)18/h4-8,16H,1-3H3,(H2,15,18)/b7-5+
InChIKeyUUTZWZPCALWQIS-FNORWQNLSA-N
MW263.29 g/mol
LogP1.85
Rot. Bonds3

About tert-butyl (E)-3-(2-carbamoyl-4-hydroxyphenyl)prop-2-enoate

tert-butyl (E)-3-(2-carbamoyl-4-hydroxyphenyl)prop-2-enoate (PubChem CID 69232306) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is tert-butyl (E)-3-(2-carbamoyl-4-hydroxyphenyl)prop-2-enoate.

Molecular Properties

Compound Nametert-butyl (E)-3-(2-carbamoyl-4-hydroxyphenyl)prop-2-enoate
PubChem CID69232306
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Nametert-butyl (E)-3-(2-carbamoyl-4-hydroxyphenyl)prop-2-enoate
SMILESCC(C)(C)OC(=O)/C=C/c1ccc(O)cc1C(N)=O
InChIInChI=1S/C14H17NO4/c1-14(2,3)19-12(17)7-5-9-4-6-10(16)8-11(9)13(15)18/h4-8,16H,1-3H3,(H2,15,18)/b7-5+
InChIKeyUUTZWZPCALWQIS-FNORWQNLSA-N
XLogP1.85
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoate
CID 151965214
tert-butyl 3-[2-hydroxy-4-(methoxymethoxy)phenyl]prop-2-enoate
CID 139988139
tert-butyl 3-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 68895336
tert-butyl 2-amino-5-hydroxybenzoate
CID 61405747
tert-butyl (E)-3-(2-methylquinolin-4-yl)prop-2-enoate
CID 11086802
ethyl (E)-3-(4-hydroxy-2-methylphenyl)prop-2-enoate
CID 86730658
tert-butyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 44571369
tert-butyl (E)-3-(2-tert-butylphenyl)prop-2-enoate
CID 89085119
ethyl (E)-3-(2-bromo-4-hydroxyphenyl)prop-2-enoate
CID 118198345
tert-butyl (E)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate
CID 130331815
tert-butyl 3-(2-methoxyphenyl)prop-2-enoate
CID 72952089
tert-butyl (E)-3-(2-cyano-5-fluorophenyl)prop-2-enoate
CID 122389984

Frequently Asked Questions

What is the IUPAC name of tert-butyl (E)-3-(2-carbamoyl-4-hydroxyphenyl)prop-2-enoate?
The IUPAC name of tert-butyl (E)-3-(2-carbamoyl-4-hydroxyphenyl)prop-2-enoate (CID 69232306) is tert-butyl (E)-3-(2-carbamoyl-4-hydroxyphenyl)prop-2-enoate.
What is the SMILES notation for tert-butyl (E)-3-(2-carbamoyl-4-hydroxyphenyl)prop-2-enoate?
The canonical SMILES for tert-butyl (E)-3-(2-carbamoyl-4-hydroxyphenyl)prop-2-enoate is CC(C)(C)OC(=O)/C=C/c1ccc(O)cc1C(N)=O.
What is the InChIKey of tert-butyl (E)-3-(2-carbamoyl-4-hydroxyphenyl)prop-2-enoate?
The InChIKey is UUTZWZPCALWQIS-FNORWQNLSA-N. The full InChI is InChI=1S/C14H17NO4/c1-14(2,3)19-12(17)7-5-9-4-6-10(16)8-11(9)13(15)18/h4-8,16H,1-3H3,(H2,15,18)/b7-5+.
What are the key properties of tert-butyl (E)-3-(2-carbamoyl-4-hydroxyphenyl)prop-2-enoate?
tert-butyl (E)-3-(2-carbamoyl-4-hydroxyphenyl)prop-2-enoate has a molecular weight of 263.29 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (E)-3-(2-carbamoyl-4-hydroxyphenyl)prop-2-enoate is sourced from PubChem (CID 69232306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).