tert-butyl N-[3-[2-(2-hydroxyethyl)phenyl]prop-2-enyl]carbamate

C16H23NO3 — CID 169467425

IUPACtert-butyl N-[3-[2-(2-hydroxyethyl)phenyl]prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1ccccc1CCO
InChIInChI=1S/C16H23NO3/c1-16(2,3)20-15(19)17-11-6-9-13-7-4-5-8-14(13)10-12-18/h4-9,18H,10-12H2,1-3H3,(H,17,19)
InChIKeyREGLKEQESYGLHS-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.76
Rot. Bonds5

About tert-butyl N-[3-[2-(2-hydroxyethyl)phenyl]prop-2-enyl]carbamate

tert-butyl N-[3-[2-(2-hydroxyethyl)phenyl]prop-2-enyl]carbamate (PubChem CID 169467425) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is tert-butyl N-[3-[2-(2-hydroxyethyl)phenyl]prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-(2-hydroxyethyl)phenyl]prop-2-enyl]carbamate
PubChem CID169467425
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nametert-butyl N-[3-[2-(2-hydroxyethyl)phenyl]prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1ccccc1CCO
InChIInChI=1S/C16H23NO3/c1-16(2,3)20-15(19)17-11-6-9-13-7-4-5-8-14(13)10-12-18/h4-9,18H,10-12H2,1-3H3,(H,17,19)
InChIKeyREGLKEQESYGLHS-UHFFFAOYSA-N
XLogP2.76
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[3-[2-(2-hydroxyethyl)phenyl]prop-2-enyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169467099
tert-butyl N-[3-[2-[(E)-3-hydroxyprop-1-enyl]phenyl]propyl]carbamate
CID 58241890
tert-butyl N-[2-[2-(2-hydroxyethyl)phenyl]ethyl]carbamate
CID 141182923
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]benzenesulfonic acid
CID 169468610
methyl 2-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenoxy]acetate
CID 169468759
tert-butyl N-[3-(2,3,4-trihydroxyphenyl)prop-2-enyl]carbamate
CID 169468710
tert-butyl N-[3-(2-amino-3-fluorophenyl)prop-2-enyl]carbamate
CID 169467187
tert-butyl N-[3-(10-chloroanthracen-9-yl)prop-2-enyl]carbamate
CID 169468652
tert-butyl N-[3-(3-chloro-2-methoxyphenyl)prop-2-enyl]carbamate
CID 169468698
methyl 2-amino-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]benzoate
CID 169468149
tert-butyl N-[3-(3-ethoxy-2-hydroxyphenyl)prop-2-enyl]carbamate
CID 169468789
benzyl N-[3-[2-(2-aminoethyl)phenyl]prop-2-enyl]carbamate
CID 169471644

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-(2-hydroxyethyl)phenyl]prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-(2-hydroxyethyl)phenyl]prop-2-enyl]carbamate (CID 169467425) is tert-butyl N-[3-[2-(2-hydroxyethyl)phenyl]prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-(2-hydroxyethyl)phenyl]prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-(2-hydroxyethyl)phenyl]prop-2-enyl]carbamate is CC(C)(C)OC(=O)NCC=Cc1ccccc1CCO.
What is the InChIKey of tert-butyl N-[3-[2-(2-hydroxyethyl)phenyl]prop-2-enyl]carbamate?
The InChIKey is REGLKEQESYGLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-16(2,3)20-15(19)17-11-6-9-13-7-4-5-8-14(13)10-12-18/h4-9,18H,10-12H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-[3-[2-(2-hydroxyethyl)phenyl]prop-2-enyl]carbamate?
tert-butyl N-[3-[2-(2-hydroxyethyl)phenyl]prop-2-enyl]carbamate has a molecular weight of 277.36 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-(2-hydroxyethyl)phenyl]prop-2-enyl]carbamate is sourced from PubChem (CID 169467425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).