tert-butyl N-[2-[2-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethyl]carbamate

C20H24N2O3 — CID 53238550

IUPACtert-butyl N-[2-[2-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1ccccc1/C=C/c1ccncc1
InChIInChI=1S/C20H24N2O3/c1-20(2,3)25-19(23)22-14-15-24-18-7-5-4-6-17(18)9-8-16-10-12-21-13-11-16/h4-13H,14-15H2,1-3H3,(H,22,23)/b9-8+
InChIKeyHMKPJGSYTNIXGR-CMDGGOBGSA-N
MW340.42 g/mol
LogP4.16
Rot. Bonds6

About tert-butyl N-[2-[2-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethyl]carbamate

tert-butyl N-[2-[2-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethyl]carbamate (PubChem CID 53238550) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethyl]carbamate
PubChem CID53238550
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Nametert-butyl N-[2-[2-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1ccccc1/C=C/c1ccncc1
InChIInChI=1S/C20H24N2O3/c1-20(2,3)25-19(23)22-14-15-24-18-7-5-4-6-17(18)9-8-16-10-12-21-13-11-16/h4-13H,14-15H2,1-3H3,(H,22,23)/b9-8+
InChIKeyHMKPJGSYTNIXGR-CMDGGOBGSA-N
XLogP4.16
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate
CID 54333211
tert-butyl N-[2-(2-bromo-3-formylphenoxy)ethyl]carbamate
CID 156905544
tert-butyl N-[2-(4-pyridin-4-ylphenoxy)ethyl]carbamate
CID 176896349
tert-butyl N-[2-(4-fluoro-2-formylphenoxy)ethyl]carbamate
CID 118265568
tert-butyl N-[2-(2-formyl-6-methoxyphenoxy)ethyl]carbamate
CID 89047540
tert-butyl N-[4-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]carbamate
CID 142008030
tert-butyl N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]carbamate
CID 38455025
(E)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-pyridin-4-ylprop-2-enoic acid
CID 66935523
methyl 2-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenoxy]acetate
CID 169468759
tert-butyl N-[2-(1-ethylnaphthalen-2-yl)oxyethyl]carbamate
CID 86709756
tert-butyl N-[3-[2-(methylaminomethyl)phenoxy]propyl]carbamate
CID 123160691
tert-butyl N-[2-(4-bromo-2-formylphenoxy)ethyl]carbamate
CID 126961724

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethyl]carbamate (CID 53238550) is tert-butyl N-[2-[2-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOc1ccccc1/C=C/c1ccncc1.
What is the InChIKey of tert-butyl N-[2-[2-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethyl]carbamate?
The InChIKey is HMKPJGSYTNIXGR-CMDGGOBGSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-20(2,3)25-19(23)22-14-15-24-18-7-5-4-6-17(18)9-8-16-10-12-21-13-11-16/h4-13H,14-15H2,1-3H3,(H,22,23)/b9-8+.
What are the key properties of tert-butyl N-[2-[2-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethyl]carbamate?
tert-butyl N-[2-[2-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethyl]carbamate has a molecular weight of 340.42 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethyl]carbamate is sourced from PubChem (CID 53238550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).