tert-butyl N-[4-[6-[4-[(E)-2-pyridin-2-ylethenyl]phenoxy]hexoxy]phenyl]carbamate

C30H36N2O4 — CID 102416606

IUPACtert-butyl N-[4-[6-[4-[(E)-2-pyridin-2-ylethenyl]phenoxy]hexoxy]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(OCCCCCCOc2ccc(/C=C/c3ccccn3)cc2)cc1
InChIInChI=1S/C30H36N2O4/c1-30(2,3)36-29(33)32-26-15-19-28(20-16-26)35-23-9-5-4-8-22-34-27-17-12-24(13-18-27)11-14-25-10-6-7-21-31-25/h6-7,10-21H,4-5,8-9,22-23H2,1-3H3,(H,32,33)/b14-11+
InChIKeyOWZHWJFHUNUYMX-SDNWHVSQSA-N
MW488.63 g/mol
LogP7.62
Rot. Bonds12

About tert-butyl N-[4-[6-[4-[(E)-2-pyridin-2-ylethenyl]phenoxy]hexoxy]phenyl]carbamate

tert-butyl N-[4-[6-[4-[(E)-2-pyridin-2-ylethenyl]phenoxy]hexoxy]phenyl]carbamate (PubChem CID 102416606) has the molecular formula C30H36N2O4 and a molecular weight of 488.63 g/mol. Its IUPAC name is tert-butyl N-[4-[6-[4-[(E)-2-pyridin-2-ylethenyl]phenoxy]hexoxy]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[6-[4-[(E)-2-pyridin-2-ylethenyl]phenoxy]hexoxy]phenyl]carbamate
PubChem CID102416606
Molecular FormulaC30H36N2O4
Molecular Weight488.63 g/mol
Exact Mass488.27
IUPAC Nametert-butyl N-[4-[6-[4-[(E)-2-pyridin-2-ylethenyl]phenoxy]hexoxy]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(OCCCCCCOc2ccc(/C=C/c3ccccn3)cc2)cc1
InChIInChI=1S/C30H36N2O4/c1-30(2,3)36-29(33)32-26-15-19-28(20-16-26)35-23-9-5-4-8-22-34-27-17-12-24(13-18-27)11-14-25-10-6-7-21-31-25/h6-7,10-21H,4-5,8-9,22-23H2,1-3H3,(H,32,33)/b14-11+
InChIKeyOWZHWJFHUNUYMX-SDNWHVSQSA-N
XLogP7.62
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 57.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-[4-[6-[4-[(E)-2-pyridin-2-ylethenyl]phenoxy]hexoxy]phenyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[4-(6-bromohexoxy)phenyl]carbamate
CID 175668643
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tert-butyl N-[4-[2-(propylamino)ethoxy]phenyl]carbamate
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tert-butyl N-[4-[(3-oxocyclobutyl)methoxy]phenyl]carbamate
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tert-butyl N-[4-[(E)-3-(3-methyl-2-pyridinyl)-3-oxoprop-1-enyl]phenyl]carbamate
CID 154644634
N-(4-hexoxyphenyl)pyridine-2-carboxamide
CID 17353110
4-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]ethoxy]butanoic acid;sulfane
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tert-butyl N-[4-(2-phenoxyethylcarbamoyl)phenyl]carbamate
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N'-[4-[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]oxamide
CID 11503325
tert-butyl N-[4-[2-(2-methylpropylamino)ethoxy]phenyl]carbamate
CID 107243419
tert-butyl N-[4-(2-methylprop-2-enoxy)phenyl]carbamate
CID 17097680

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[6-[4-[(E)-2-pyridin-2-ylethenyl]phenoxy]hexoxy]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[6-[4-[(E)-2-pyridin-2-ylethenyl]phenoxy]hexoxy]phenyl]carbamate (CID 102416606) is tert-butyl N-[4-[6-[4-[(E)-2-pyridin-2-ylethenyl]phenoxy]hexoxy]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[6-[4-[(E)-2-pyridin-2-ylethenyl]phenoxy]hexoxy]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[6-[4-[(E)-2-pyridin-2-ylethenyl]phenoxy]hexoxy]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(OCCCCCCOc2ccc(/C=C/c3ccccn3)cc2)cc1.
What is the InChIKey of tert-butyl N-[4-[6-[4-[(E)-2-pyridin-2-ylethenyl]phenoxy]hexoxy]phenyl]carbamate?
The InChIKey is OWZHWJFHUNUYMX-SDNWHVSQSA-N. The full InChI is InChI=1S/C30H36N2O4/c1-30(2,3)36-29(33)32-26-15-19-28(20-16-26)35-23-9-5-4-8-22-34-27-17-12-24(13-18-27)11-14-25-10-6-7-21-31-25/h6-7,10-21H,4-5,8-9,22-23H2,1-3H3,(H,32,33)/b14-11+.
What are the key properties of tert-butyl N-[4-[6-[4-[(E)-2-pyridin-2-ylethenyl]phenoxy]hexoxy]phenyl]carbamate?
tert-butyl N-[4-[6-[4-[(E)-2-pyridin-2-ylethenyl]phenoxy]hexoxy]phenyl]carbamate has a molecular weight of 488.63 g/mol, XLogP of 7.62, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[6-[4-[(E)-2-pyridin-2-ylethenyl]phenoxy]hexoxy]phenyl]carbamate is sourced from PubChem (CID 102416606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).