tert-butyl N-[3-(3-ethoxy-2-hydroxyphenyl)prop-2-enyl]carbamate

C16H23NO4 — CID 169468789

IUPACtert-butyl N-[3-(3-ethoxy-2-hydroxyphenyl)prop-2-enyl]carbamate
SMILESCCOc1cccc(C=CCNC(=O)OC(C)(C)C)c1O
InChIInChI=1S/C16H23NO4/c1-5-20-13-10-6-8-12(14(13)18)9-7-11-17-15(19)21-16(2,3)4/h6-10,18H,5,11H2,1-4H3,(H,17,19)
InChIKeyWZDCRNRGAAVSLT-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.33
Rot. Bonds5

About tert-butyl N-[3-(3-ethoxy-2-hydroxyphenyl)prop-2-enyl]carbamate

tert-butyl N-[3-(3-ethoxy-2-hydroxyphenyl)prop-2-enyl]carbamate (PubChem CID 169468789) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is tert-butyl N-[3-(3-ethoxy-2-hydroxyphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(3-ethoxy-2-hydroxyphenyl)prop-2-enyl]carbamate
PubChem CID169468789
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nametert-butyl N-[3-(3-ethoxy-2-hydroxyphenyl)prop-2-enyl]carbamate
SMILESCCOc1cccc(C=CCNC(=O)OC(C)(C)C)c1O
InChIInChI=1S/C16H23NO4/c1-5-20-13-10-6-8-12(14(13)18)9-7-11-17-15(19)21-16(2,3)4/h6-10,18H,5,11H2,1-4H3,(H,17,19)
InChIKeyWZDCRNRGAAVSLT-UHFFFAOYSA-N
XLogP3.33
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(2,3,4-trihydroxyphenyl)prop-2-enyl]carbamate
CID 169468710
methyl 2-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenoxy]acetate
CID 169468759
tert-butyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate
CID 169468647
tert-butyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169467099
tert-butyl N-[3-(2-amino-3-fluorophenyl)prop-2-enyl]carbamate
CID 169467187
N-[3-(2-ethoxyphenyl)prop-2-enyl]acetamide
CID 169465357
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]benzenesulfonic acid
CID 169468610
tert-butyl N-[3-(3-propanoylphenyl)prop-2-enyl]carbamate
CID 169467804
tert-butyl N-[3-(3-chloro-2-methoxyphenyl)prop-2-enyl]carbamate
CID 169468698
tert-butyl N-[3-[2-(2-hydroxyethyl)phenyl]prop-2-enyl]carbamate
CID 169467425
methyl 2-amino-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]benzoate
CID 169468149
tert-butyl N-[3-(4-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate
CID 169466990

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(3-ethoxy-2-hydroxyphenyl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-(3-ethoxy-2-hydroxyphenyl)prop-2-enyl]carbamate (CID 169468789) is tert-butyl N-[3-(3-ethoxy-2-hydroxyphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(3-ethoxy-2-hydroxyphenyl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(3-ethoxy-2-hydroxyphenyl)prop-2-enyl]carbamate is CCOc1cccc(C=CCNC(=O)OC(C)(C)C)c1O.
What is the InChIKey of tert-butyl N-[3-(3-ethoxy-2-hydroxyphenyl)prop-2-enyl]carbamate?
The InChIKey is WZDCRNRGAAVSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-5-20-13-10-6-8-12(14(13)18)9-7-11-17-15(19)21-16(2,3)4/h6-10,18H,5,11H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl N-[3-(3-ethoxy-2-hydroxyphenyl)prop-2-enyl]carbamate?
tert-butyl N-[3-(3-ethoxy-2-hydroxyphenyl)prop-2-enyl]carbamate has a molecular weight of 293.36 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(3-ethoxy-2-hydroxyphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169468789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).