tert-butyl N-(2-iodo-3-methoxyphenyl)carbamate

C12H16INO3 — CID 10760197

IUPACtert-butyl N-(2-iodo-3-methoxyphenyl)carbamate
SMILESCOc1cccc(NC(=O)OC(C)(C)C)c1I
InChIInChI=1S/C12H16INO3/c1-12(2,3)17-11(15)14-8-6-5-7-9(16-4)10(8)13/h5-7H,1-4H3,(H,14,15)
InChIKeyCIWAVSMSJZGDPW-UHFFFAOYSA-N
MW349.17 g/mol
LogP3.65
Rot. Bonds2

About tert-butyl N-(2-iodo-3-methoxyphenyl)carbamate

tert-butyl N-(2-iodo-3-methoxyphenyl)carbamate (PubChem CID 10760197) has the molecular formula C12H16INO3 and a molecular weight of 349.17 g/mol. Its IUPAC name is tert-butyl N-(2-iodo-3-methoxyphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-iodo-3-methoxyphenyl)carbamate
PubChem CID10760197
Molecular FormulaC12H16INO3
Molecular Weight349.17 g/mol
Exact Mass349.02
IUPAC Nametert-butyl N-(2-iodo-3-methoxyphenyl)carbamate
SMILESCOc1cccc(NC(=O)OC(C)(C)C)c1I
InChIInChI=1S/C12H16INO3/c1-12(2,3)17-11(15)14-8-6-5-7-9(16-4)10(8)13/h5-7H,1-4H3,(H,14,15)
InChIKeyCIWAVSMSJZGDPW-UHFFFAOYSA-N
XLogP3.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(2-hydroxy-3-methoxyphenyl)carbamate
CID 10955644
tert-butyl N-(2-fluoro-3-methoxyphenyl)carbamate;molecular hydrogen
CID 158506120
tert-butyl N-(3-fluoro-2-methoxyphenyl)carbamate
CID 121232357
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-[2-(2-aminoethoxy)phenyl]carbamate
CID 22620024
tert-butyl N-(3-amino-2-chlorophenyl)carbamate
CID 130506591
tert-butyl N-(5-hydroxy-2-methoxyphenyl)carbamate
CID 152536591
tert-butyl N-[2-(hydroxymethyl)-3-methylphenyl]carbamate
CID 14368463
tert-butyl N-[2-methoxy-6-(2-oxopropyl)phenyl]carbamate
CID 175297517
tert-butyl N-(6-methoxynaphthalen-1-yl)carbamate
CID 12843045
tert-butyl N-(2-amino-3-methylphenyl)carbamate
CID 76849218
[2-(aminomethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] 2-methylpropanoate
CID 174448482

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-iodo-3-methoxyphenyl)carbamate?
The IUPAC name of tert-butyl N-(2-iodo-3-methoxyphenyl)carbamate (CID 10760197) is tert-butyl N-(2-iodo-3-methoxyphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-iodo-3-methoxyphenyl)carbamate?
The canonical SMILES for tert-butyl N-(2-iodo-3-methoxyphenyl)carbamate is COc1cccc(NC(=O)OC(C)(C)C)c1I.
What is the InChIKey of tert-butyl N-(2-iodo-3-methoxyphenyl)carbamate?
The InChIKey is CIWAVSMSJZGDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO3/c1-12(2,3)17-11(15)14-8-6-5-7-9(16-4)10(8)13/h5-7H,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-(2-iodo-3-methoxyphenyl)carbamate?
tert-butyl N-(2-iodo-3-methoxyphenyl)carbamate has a molecular weight of 349.17 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-iodo-3-methoxyphenyl)carbamate is sourced from PubChem (CID 10760197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).