tert-butyl N-(1,4-dioxaspiro[4.5]dec-7-ene-8-carbonyl)-N-(2-iodophenyl)carbamate

C20H24INO5 — CID 15355707

IUPACtert-butyl N-(1,4-dioxaspiro[4.5]dec-7-ene-8-carbonyl)-N-(2-iodophenyl)carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)C1=CCC2(CC1)OCCO2)c1ccccc1I
InChIInChI=1S/C20H24INO5/c1-19(2,3)27-18(24)22(16-7-5-4-6-15(16)21)17(23)14-8-10-20(11-9-14)25-12-13-26-20/h4-8H,9-13H2,1-3H3
InChIKeyOYDBEFDKQRKKBT-UHFFFAOYSA-N
MW485.32 g/mol
LogP4.41
Rot. Bonds2

About tert-butyl N-(1,4-dioxaspiro[4.5]dec-7-ene-8-carbonyl)-N-(2-iodophenyl)carbamate

tert-butyl N-(1,4-dioxaspiro[4.5]dec-7-ene-8-carbonyl)-N-(2-iodophenyl)carbamate (PubChem CID 15355707) has the molecular formula C20H24INO5 and a molecular weight of 485.32 g/mol. Its IUPAC name is tert-butyl N-(1,4-dioxaspiro[4.5]dec-7-ene-8-carbonyl)-N-(2-iodophenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1,4-dioxaspiro[4.5]dec-7-ene-8-carbonyl)-N-(2-iodophenyl)carbamate
PubChem CID15355707
Molecular FormulaC20H24INO5
Molecular Weight485.32 g/mol
Exact Mass485.07
IUPAC Nametert-butyl N-(1,4-dioxaspiro[4.5]dec-7-ene-8-carbonyl)-N-(2-iodophenyl)carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)C1=CCC2(CC1)OCCO2)c1ccccc1I
InChIInChI=1S/C20H24INO5/c1-19(2,3)27-18(24)22(16-7-5-4-6-15(16)21)17(23)14-8-10-20(11-9-14)25-12-13-26-20/h4-8H,9-13H2,1-3H3
InChIKeyOYDBEFDKQRKKBT-UHFFFAOYSA-N
XLogP4.41
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.32
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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 3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,4-benzoxazine-4-carboxylate
CID 91014417
tert-butyl N-(2-iodophenyl)-N-propylcarbamate
CID 165178423
tert-butyl N-buta-2,3-dienyl-N-(2-iodophenyl)carbamate
CID 132516346
methyl (2S)-2-[(2-iodobenzoyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3-dimethylbutanoate
CID 101415003
tert-butyl N-[2-(hydroxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 121232071
tert-butyl N-[2-(bromomethyl)phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 121232067
tert-butyl N-[(1-aminocyclopropyl)methyl]-N-(2-fluorophenyl)carbamate
CID 84811889
tert-butyl N-[2-(1-aminocyclopropyl)ethyl]-N-(2-methylphenyl)carbamate
CID 84814898
N'-[(E)-2-fluoroprop-1-enyl]-N-methylidene-1,4-dioxaspiro[4.5]dec-7-ene-8-carboximidamide
CID 162735187
[2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methanol
CID 59541120

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,4-dioxaspiro[4.5]dec-7-ene-8-carbonyl)-N-(2-iodophenyl)carbamate?
The IUPAC name of tert-butyl N-(1,4-dioxaspiro[4.5]dec-7-ene-8-carbonyl)-N-(2-iodophenyl)carbamate (CID 15355707) is tert-butyl N-(1,4-dioxaspiro[4.5]dec-7-ene-8-carbonyl)-N-(2-iodophenyl)carbamate.
What is the SMILES notation for tert-butyl N-(1,4-dioxaspiro[4.5]dec-7-ene-8-carbonyl)-N-(2-iodophenyl)carbamate?
The canonical SMILES for tert-butyl N-(1,4-dioxaspiro[4.5]dec-7-ene-8-carbonyl)-N-(2-iodophenyl)carbamate is CC(C)(C)OC(=O)N(C(=O)C1=CCC2(CC1)OCCO2)c1ccccc1I.
What is the InChIKey of tert-butyl N-(1,4-dioxaspiro[4.5]dec-7-ene-8-carbonyl)-N-(2-iodophenyl)carbamate?
The InChIKey is OYDBEFDKQRKKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24INO5/c1-19(2,3)27-18(24)22(16-7-5-4-6-15(16)21)17(23)14-8-10-20(11-9-14)25-12-13-26-20/h4-8H,9-13H2,1-3H3.
What are the key properties of tert-butyl N-(1,4-dioxaspiro[4.5]dec-7-ene-8-carbonyl)-N-(2-iodophenyl)carbamate?
tert-butyl N-(1,4-dioxaspiro[4.5]dec-7-ene-8-carbonyl)-N-(2-iodophenyl)carbamate has a molecular weight of 485.32 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,4-dioxaspiro[4.5]dec-7-ene-8-carbonyl)-N-(2-iodophenyl)carbamate is sourced from PubChem (CID 15355707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).