tert-butyl N-buta-2,3-dienyl-N-(2-iodophenyl)carbamate

C15H18INO2 — CID 132516346

IUPACtert-butyl N-buta-2,3-dienyl-N-(2-iodophenyl)carbamate
SMILESC=C=CCN(C(=O)OC(C)(C)C)c1ccccc1I
InChIInChI=1S/C15H18INO2/c1-5-6-11-17(14(18)19-15(2,3)4)13-10-8-7-9-12(13)16/h6-10H,1,11H2,2-4H3
InChIKeyQWCVQSMNLYOGEW-UHFFFAOYSA-N
MW371.22 g/mol
LogP4.37
Rot. Bonds3

About tert-butyl N-buta-2,3-dienyl-N-(2-iodophenyl)carbamate

tert-butyl N-buta-2,3-dienyl-N-(2-iodophenyl)carbamate (PubChem CID 132516346) has the molecular formula C15H18INO2 and a molecular weight of 371.22 g/mol. Its IUPAC name is tert-butyl N-buta-2,3-dienyl-N-(2-iodophenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-buta-2,3-dienyl-N-(2-iodophenyl)carbamate
PubChem CID132516346
Molecular FormulaC15H18INO2
Molecular Weight371.22 g/mol
Exact Mass371.04
IUPAC Nametert-butyl N-buta-2,3-dienyl-N-(2-iodophenyl)carbamate
SMILESC=C=CCN(C(=O)OC(C)(C)C)c1ccccc1I
InChIInChI=1S/C15H18INO2/c1-5-6-11-17(14(18)19-15(2,3)4)13-10-8-7-9-12(13)16/h6-10H,1,11H2,2-4H3
InChIKeyQWCVQSMNLYOGEW-UHFFFAOYSA-N
XLogP4.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.22
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(2-iodophenyl)-N-propylcarbamate
CID 165178423
tert-butyl N-(2-iodophenyl)-N-[(2-iodophenyl)carbamoyl]carbamate
CID 171397270
tert-butyl N-(2-iodophenyl)-N-(4-methylphenyl)carbamate
CID 165178410
tert-butyl N-[2-(aminomethyl)phenyl]-N-ethylcarbamate
CID 70071054
tert-butyl N-(3-fluoroprop-2-enyl)-N-(2-methoxyphenyl)carbamate
CID 70429366
tert-butyl N-[2-(hydroxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 121232071
tert-butyl N-(2-chloro-3-pyridinyl)-N-prop-2-enylcarbamate
CID 86639381
tert-butyl N-[2-(bromomethyl)phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 121232067
tert-butyl N-(2-bromophenyl)-N-prop-2-ynylcarbamate
CID 16748153
N-but-2-enyl-N-(2-iodophenyl)acetamide
CID 135080024
tert-butyl N-cyano-N-(2-prop-2-enylphenyl)carbamate
CID 102140638
3-[2-amino-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]propanoic acid
CID 63118555

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-buta-2,3-dienyl-N-(2-iodophenyl)carbamate?
The IUPAC name of tert-butyl N-buta-2,3-dienyl-N-(2-iodophenyl)carbamate (CID 132516346) is tert-butyl N-buta-2,3-dienyl-N-(2-iodophenyl)carbamate.
What is the SMILES notation for tert-butyl N-buta-2,3-dienyl-N-(2-iodophenyl)carbamate?
The canonical SMILES for tert-butyl N-buta-2,3-dienyl-N-(2-iodophenyl)carbamate is C=C=CCN(C(=O)OC(C)(C)C)c1ccccc1I.
What is the InChIKey of tert-butyl N-buta-2,3-dienyl-N-(2-iodophenyl)carbamate?
The InChIKey is QWCVQSMNLYOGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18INO2/c1-5-6-11-17(14(18)19-15(2,3)4)13-10-8-7-9-12(13)16/h6-10H,1,11H2,2-4H3.
What are the key properties of tert-butyl N-buta-2,3-dienyl-N-(2-iodophenyl)carbamate?
tert-butyl N-buta-2,3-dienyl-N-(2-iodophenyl)carbamate has a molecular weight of 371.22 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-buta-2,3-dienyl-N-(2-iodophenyl)carbamate is sourced from PubChem (CID 132516346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).