tert-butyl N-[3-(5-amino-2-hydroxyphenyl)prop-2-enyl]carbamate

C14H20N2O3 — CID 169467247

IUPACtert-butyl N-[3-(5-amino-2-hydroxyphenyl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1cc(N)ccc1O
InChIInChI=1S/C14H20N2O3/c1-14(2,3)19-13(18)16-8-4-5-10-9-11(15)6-7-12(10)17/h4-7,9,17H,8,15H2,1-3H3,(H,16,18)
InChIKeyIEAAHAOBYYLIMP-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.51
Rot. Bonds3

About tert-butyl N-[3-(5-amino-2-hydroxyphenyl)prop-2-enyl]carbamate

tert-butyl N-[3-(5-amino-2-hydroxyphenyl)prop-2-enyl]carbamate (PubChem CID 169467247) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is tert-butyl N-[3-(5-amino-2-hydroxyphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(5-amino-2-hydroxyphenyl)prop-2-enyl]carbamate
PubChem CID169467247
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nametert-butyl N-[3-(5-amino-2-hydroxyphenyl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1cc(N)ccc1O
InChIInChI=1S/C14H20N2O3/c1-14(2,3)19-13(18)16-8-4-5-10-9-11(15)6-7-12(10)17/h4-7,9,17H,8,15H2,1-3H3,(H,16,18)
InChIKeyIEAAHAOBYYLIMP-UHFFFAOYSA-N
XLogP2.51
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-(5-amino-2-chlorophenyl)prop-2-enyl]carbamate
CID 169467171
tert-butyl N-[3-(5-chloro-2-hydroxyphenyl)prop-2-enyl]carbamate
CID 169467081
methyl 4-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]benzoate
CID 169468079
tert-butyl N-[3-(2,3,4-trihydroxyphenyl)prop-2-enyl]carbamate
CID 169468710
tert-butyl N-[3-(4-chloro-2-hydroxyphenyl)prop-2-enyl]carbamate
CID 169467082
tert-butyl N-[3-(2-chloro-5-hydroxyphenyl)prop-2-enyl]carbamate
CID 169467073
tert-butyl N-[3-(5-bromo-2-fluorophenyl)prop-2-enyl]carbamate
CID 169468547
tert-butyl N-[3-(2-amino-3-fluorophenyl)prop-2-enyl]carbamate
CID 169467187
tert-butyl N-[3-(3-amino-4-methoxyphenyl)prop-2-enyl]carbamate
CID 169467599
tert-butyl N-[(E)-4-[(2,3,4-trihydroxyphenyl)methylamino]but-2-enyl]carbamate
CID 107731069
tert-butyl N-[3-(4-chloro-2-fluorophenyl)prop-2-enyl]carbamate
CID 169467051
tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)prop-2-enyl]carbamate
CID 169466995

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(5-amino-2-hydroxyphenyl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-(5-amino-2-hydroxyphenyl)prop-2-enyl]carbamate (CID 169467247) is tert-butyl N-[3-(5-amino-2-hydroxyphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(5-amino-2-hydroxyphenyl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(5-amino-2-hydroxyphenyl)prop-2-enyl]carbamate is CC(C)(C)OC(=O)NCC=Cc1cc(N)ccc1O.
What is the InChIKey of tert-butyl N-[3-(5-amino-2-hydroxyphenyl)prop-2-enyl]carbamate?
The InChIKey is IEAAHAOBYYLIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,3)19-13(18)16-8-4-5-10-9-11(15)6-7-12(10)17/h4-7,9,17H,8,15H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-[3-(5-amino-2-hydroxyphenyl)prop-2-enyl]carbamate?
tert-butyl N-[3-(5-amino-2-hydroxyphenyl)prop-2-enyl]carbamate has a molecular weight of 264.32 g/mol, XLogP of 2.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(5-amino-2-hydroxyphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169467247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).