tert-butyl N-[2-[2-[(E,4S)-4-hydroxypent-2-en-2-yl]phenyl]ethyl]carbamate

C18H27NO3 — CID 102483419

IUPACtert-butyl N-[2-[2-[(E,4S)-4-hydroxypent-2-en-2-yl]phenyl]ethyl]carbamate
SMILESC/C(=C\[C@H](C)O)c1ccccc1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C18H27NO3/c1-13(12-14(2)20)16-9-7-6-8-15(16)10-11-19-17(21)22-18(3,4)5/h6-9,12,14,20H,10-11H2,1-5H3,(H,19,21)/b13-12+/t14-/m0/s1
InChIKeySWFJZMINOMLVSO-FNDVETGQSA-N
MW305.42 g/mol
LogP3.54
Rot. Bonds5

About tert-butyl N-[2-[2-[(E,4S)-4-hydroxypent-2-en-2-yl]phenyl]ethyl]carbamate

tert-butyl N-[2-[2-[(E,4S)-4-hydroxypent-2-en-2-yl]phenyl]ethyl]carbamate (PubChem CID 102483419) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[(E,4S)-4-hydroxypent-2-en-2-yl]phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[(E,4S)-4-hydroxypent-2-en-2-yl]phenyl]ethyl]carbamate
PubChem CID102483419
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Nametert-butyl N-[2-[2-[(E,4S)-4-hydroxypent-2-en-2-yl]phenyl]ethyl]carbamate
SMILESC/C(=C\[C@H](C)O)c1ccccc1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C18H27NO3/c1-13(12-14(2)20)16-9-7-6-8-15(16)10-11-19-17(21)22-18(3,4)5/h6-9,12,14,20H,10-11H2,1-5H3,(H,19,21)/b13-12+/t14-/m0/s1
InChIKeySWFJZMINOMLVSO-FNDVETGQSA-N
XLogP3.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl] methanesulfonate
CID 175577390
tert-butyl N-[2-[2-[[(1R)-1-(4-ethoxyphenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate
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tert-butyl N-[2-[2-[[(1R)-1-(4-cyanophenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate
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tert-butyl N-[2-[2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]ethyl]carbamate
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tert-butyl N-[2-[2-[(E,3S)-3-hydroxybut-1-enyl]-5-methylphenyl]ethyl]carbamate
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tert-butyl N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]carbamate
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tert-butyl N-[2-(1-ethenylnaphthalen-2-yl)ethyl]carbamate
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tert-butyl N-(2-phenylethyl)carbamate;ethane
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tert-butyl N-[2-(2-hydroxy-4-propan-2-ylphenyl)ethyl]carbamate
CID 18457008
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]naphthalene-1-carboxylic acid
CID 69452864

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[(E,4S)-4-hydroxypent-2-en-2-yl]phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[(E,4S)-4-hydroxypent-2-en-2-yl]phenyl]ethyl]carbamate (CID 102483419) is tert-butyl N-[2-[2-[(E,4S)-4-hydroxypent-2-en-2-yl]phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[(E,4S)-4-hydroxypent-2-en-2-yl]phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[(E,4S)-4-hydroxypent-2-en-2-yl]phenyl]ethyl]carbamate is C/C(=C\[C@H](C)O)c1ccccc1CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[2-[(E,4S)-4-hydroxypent-2-en-2-yl]phenyl]ethyl]carbamate?
The InChIKey is SWFJZMINOMLVSO-FNDVETGQSA-N. The full InChI is InChI=1S/C18H27NO3/c1-13(12-14(2)20)16-9-7-6-8-15(16)10-11-19-17(21)22-18(3,4)5/h6-9,12,14,20H,10-11H2,1-5H3,(H,19,21)/b13-12+/t14-/m0/s1.
What are the key properties of tert-butyl N-[2-[2-[(E,4S)-4-hydroxypent-2-en-2-yl]phenyl]ethyl]carbamate?
tert-butyl N-[2-[2-[(E,4S)-4-hydroxypent-2-en-2-yl]phenyl]ethyl]carbamate has a molecular weight of 305.42 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[(E,4S)-4-hydroxypent-2-en-2-yl]phenyl]ethyl]carbamate is sourced from PubChem (CID 102483419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).