tert-butyl N-[(E)-1-hydroxy-4-phenylbut-2-en-2-yl]carbamate

C15H21NO3 — CID 100950560

IUPACtert-butyl N-[(E)-1-hydroxy-4-phenylbut-2-en-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N/C(=C/Cc1ccccc1)CO
InChIInChI=1S/C15H21NO3/c1-15(2,3)19-14(18)16-13(11-17)10-9-12-7-5-4-6-8-12/h4-8,10,17H,9,11H2,1-3H3,(H,16,18)/b13-10+
InChIKeyLQPVAEXYYFDQMN-JLHYYAGUSA-N
MW263.34 g/mol
LogP2.63
Rot. Bonds4

About tert-butyl N-[(E)-1-hydroxy-4-phenylbut-2-en-2-yl]carbamate

tert-butyl N-[(E)-1-hydroxy-4-phenylbut-2-en-2-yl]carbamate (PubChem CID 100950560) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl N-[(E)-1-hydroxy-4-phenylbut-2-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-1-hydroxy-4-phenylbut-2-en-2-yl]carbamate
PubChem CID100950560
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nametert-butyl N-[(E)-1-hydroxy-4-phenylbut-2-en-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N/C(=C/Cc1ccccc1)CO
InChIInChI=1S/C15H21NO3/c1-15(2,3)19-14(18)16-13(11-17)10-9-12-7-5-4-6-8-12/h4-8,10,17H,9,11H2,1-3H3,(H,16,18)/b13-10+
InChIKeyLQPVAEXYYFDQMN-JLHYYAGUSA-N
XLogP2.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbut-2-enoic acid
CID 15408414
tert-butyl N-[(Z)-1,3-diphenylprop-1-en-2-yl]carbamate
CID 102211482
tert-butyl (E)-2-hydroxy-4-phenylbut-2-enoate
CID 70989975
tert-butyl N-[(Z)-3-phenylprop-1-enyl]carbamate
CID 11983772
tert-butyl (E)-2-methyl-4-phenylbut-2-enoate
CID 10857330
tert-butyl N-[2-methyl-1-[(2-phenylacetyl)amino]prop-1-enyl]carbamate
CID 176957250
tert-butyl 4-phenyl-2-propan-2-ylbut-2-enoate
CID 54019128
tert-butyl N-(3-phenylprop-2-enoyl)carbamate
CID 123902044
tert-butyl N-[[(Z)-1-phenylbut-2-en-2-yl]amino]carbamate
CID 21186039
2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypent-2-enoic acid
CID 66744702
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
ditert-butyl (2E)-2-(2-phenylethylidene)pentanedioate
CID 10936923

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-1-hydroxy-4-phenylbut-2-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(E)-1-hydroxy-4-phenylbut-2-en-2-yl]carbamate (CID 100950560) is tert-butyl N-[(E)-1-hydroxy-4-phenylbut-2-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-1-hydroxy-4-phenylbut-2-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-1-hydroxy-4-phenylbut-2-en-2-yl]carbamate is CC(C)(C)OC(=O)N/C(=C/Cc1ccccc1)CO.
What is the InChIKey of tert-butyl N-[(E)-1-hydroxy-4-phenylbut-2-en-2-yl]carbamate?
The InChIKey is LQPVAEXYYFDQMN-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(2,3)19-14(18)16-13(11-17)10-9-12-7-5-4-6-8-12/h4-8,10,17H,9,11H2,1-3H3,(H,16,18)/b13-10+.
What are the key properties of tert-butyl N-[(E)-1-hydroxy-4-phenylbut-2-en-2-yl]carbamate?
tert-butyl N-[(E)-1-hydroxy-4-phenylbut-2-en-2-yl]carbamate has a molecular weight of 263.34 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-1-hydroxy-4-phenylbut-2-en-2-yl]carbamate is sourced from PubChem (CID 100950560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).