benzyl N-[2-(3-iodophenoxy)ethyl]carbamate

C16H16INO3 — CID 156619995

IUPACbenzyl N-[2-(3-iodophenoxy)ethyl]carbamate
SMILESO=C(NCCOc1cccc(I)c1)OCc1ccccc1
InChIInChI=1S/C16H16INO3/c17-14-7-4-8-15(11-14)20-10-9-18-16(19)21-12-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,18,19)
InChIKeyUTSXKZMNMXLLAO-UHFFFAOYSA-N
MW397.21 g/mol
LogP3.60
Rot. Bonds6

About benzyl N-[2-(3-iodophenoxy)ethyl]carbamate

benzyl N-[2-(3-iodophenoxy)ethyl]carbamate (PubChem CID 156619995) has the molecular formula C16H16INO3 and a molecular weight of 397.21 g/mol. Its IUPAC name is benzyl N-[2-(3-iodophenoxy)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(3-iodophenoxy)ethyl]carbamate
PubChem CID156619995
Molecular FormulaC16H16INO3
Molecular Weight397.21 g/mol
Exact Mass397.02
IUPAC Namebenzyl N-[2-(3-iodophenoxy)ethyl]carbamate
SMILESO=C(NCCOc1cccc(I)c1)OCc1ccccc1
InChIInChI=1S/C16H16INO3/c17-14-7-4-8-15(11-14)20-10-9-18-16(19)21-12-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,18,19)
InChIKeyUTSXKZMNMXLLAO-UHFFFAOYSA-N
XLogP3.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.21
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[2-(4-oxaldehydoylphenoxy)ethyl]carbamate
CID 19889127
3-(phenylmethoxycarbonylamino)propyl N-[[3-[[3-(phenylmethoxycarbonylamino)propoxycarbonylamino]methyl]phenyl]methyl]carbamate
CID 118581814
3-phenylpropyl N-(2-phenoxyethyl)carbamate
CID 6733581
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 162341693
benzyl N-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenoxy]ethyl]carbamate
CID 156874082
benzyl N-(2-benzamidoethyl)carbamate
CID 12715872
benzyl N-[1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]carbamate
CID 2973242
benzyl N-[2-[2-(2-aminooxyethoxy)ethoxy]ethyl]carbamate
CID 178184257
N-[2-(3-aminophenoxy)ethyl]-2-phenylacetamide
CID 39369561
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(3-iodophenoxy)ethyl]carbamate?
The IUPAC name of benzyl N-[2-(3-iodophenoxy)ethyl]carbamate (CID 156619995) is benzyl N-[2-(3-iodophenoxy)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(3-iodophenoxy)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-(3-iodophenoxy)ethyl]carbamate is O=C(NCCOc1cccc(I)c1)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(3-iodophenoxy)ethyl]carbamate?
The InChIKey is UTSXKZMNMXLLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO3/c17-14-7-4-8-15(11-14)20-10-9-18-16(19)21-12-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,18,19).
What are the key properties of benzyl N-[2-(3-iodophenoxy)ethyl]carbamate?
benzyl N-[2-(3-iodophenoxy)ethyl]carbamate has a molecular weight of 397.21 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(3-iodophenoxy)ethyl]carbamate is sourced from PubChem (CID 156619995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).