tert-butyl N-[2-(4-iodophenyl)propan-2-yl]carbamate

C14H20INO2 — CID 133062885

IUPACtert-butyl N-[2-(4-iodophenyl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)c1ccc(I)cc1
InChIInChI=1S/C14H20INO2/c1-13(2,3)18-12(17)16-14(4,5)10-6-8-11(15)9-7-10/h6-9H,1-5H3,(H,16,17)
InChIKeySWCFUJFOUQVFJN-UHFFFAOYSA-N
MW361.22 g/mol
LogP4.05
Rot. Bonds2

About tert-butyl N-[2-(4-iodophenyl)propan-2-yl]carbamate

tert-butyl N-[2-(4-iodophenyl)propan-2-yl]carbamate (PubChem CID 133062885) has the molecular formula C14H20INO2 and a molecular weight of 361.22 g/mol. Its IUPAC name is tert-butyl N-[2-(4-iodophenyl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-iodophenyl)propan-2-yl]carbamate
PubChem CID133062885
Molecular FormulaC14H20INO2
Molecular Weight361.22 g/mol
Exact Mass361.05
IUPAC Nametert-butyl N-[2-(4-iodophenyl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)c1ccc(I)cc1
InChIInChI=1S/C14H20INO2/c1-13(2,3)18-12(17)16-14(4,5)10-6-8-11(15)9-7-10/h6-9H,1-5H3,(H,16,17)
InChIKeySWCFUJFOUQVFJN-UHFFFAOYSA-N
XLogP4.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.22
LogP ≤ 54.05
H-Bond Donors ≤ 51
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-(3,5-difluorophenyl)propan-2-yl]carbamate
CID 118336731
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyridine-2-carboxylic acid
CID 171652736
methyl N-[2-(4-aminophenyl)propan-2-yl]carbamate
CID 139316286
tert-butyl N-[(4-iodophenyl)methylamino]carbamate
CID 130517937
tert-butyl N-[(2S)-2-hydroxy-2-(4-iodophenyl)ethyl]carbamate
CID 51441490
tert-butyl N-[2-[4-[[2-(4-ethylsulfanylphenyl)acetyl]amino]phenyl]propan-2-yl]carbamate
CID 145232207
tert-butyl N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]carbamate
CID 70199501
tert-butyl N-(4-iodo-2-methylphenyl)carbamate
CID 23074904
tert-butyl (4-iodophenyl) carbonate
CID 22345872
tert-butyl N-[2-[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]propan-2-yl]carbamate
CID 121449253
tert-butyl N-[4-iodo-2-(methylcarbamoyl)phenyl]carbamate
CID 176806470
tert-butyl N-[1-hydroxy-3-(4-iodophenyl)propan-2-yl]carbamate
CID 45358210

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-iodophenyl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-iodophenyl)propan-2-yl]carbamate (CID 133062885) is tert-butyl N-[2-(4-iodophenyl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-iodophenyl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-iodophenyl)propan-2-yl]carbamate is CC(C)(C)OC(=O)NC(C)(C)c1ccc(I)cc1.
What is the InChIKey of tert-butyl N-[2-(4-iodophenyl)propan-2-yl]carbamate?
The InChIKey is SWCFUJFOUQVFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20INO2/c1-13(2,3)18-12(17)16-14(4,5)10-6-8-11(15)9-7-10/h6-9H,1-5H3,(H,16,17).
What are the key properties of tert-butyl N-[2-(4-iodophenyl)propan-2-yl]carbamate?
tert-butyl N-[2-(4-iodophenyl)propan-2-yl]carbamate has a molecular weight of 361.22 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-iodophenyl)propan-2-yl]carbamate is sourced from PubChem (CID 133062885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).