benzyl N-(4-iodocyclohexyl)carbamate

C14H18INO2 — CID 66569099

IUPACbenzyl N-(4-iodocyclohexyl)carbamate
SMILESO=C(NC1CCC(I)CC1)OCc1ccccc1
InChIInChI=1S/C14H18INO2/c15-12-6-8-13(9-7-12)16-14(17)18-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,16,17)
InChIKeyJFTNWQVLMRFZNZ-UHFFFAOYSA-N
MW359.21 g/mol
LogP3.66
Rot. Bonds3

About benzyl N-(4-iodocyclohexyl)carbamate

benzyl N-(4-iodocyclohexyl)carbamate (PubChem CID 66569099) has the molecular formula C14H18INO2 and a molecular weight of 359.21 g/mol. Its IUPAC name is benzyl N-(4-iodocyclohexyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(4-iodocyclohexyl)carbamate
PubChem CID66569099
Molecular FormulaC14H18INO2
Molecular Weight359.21 g/mol
Exact Mass359.04
IUPAC Namebenzyl N-(4-iodocyclohexyl)carbamate
SMILESO=C(NC1CCC(I)CC1)OCc1ccccc1
InChIInChI=1S/C14H18INO2/c15-12-6-8-13(9-7-12)16-14(17)18-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,16,17)
InChIKeyJFTNWQVLMRFZNZ-UHFFFAOYSA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-(3-iodocyclobutyl)carbamate
CID 177035256
benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-(4-propylcyclohexyl)carbamate
CID 130580975
[4-(phenylmethoxycarbonylamino)cyclohexyl]methylazanium
CID 86306720
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
CID 138958096
benzyl N-cyclopent-3-en-1-ylcarbamate
CID 10751243
benzyl N-(4-amino-4-methylcyclohexyl)carbamate
CID 168763188
2-[methyl-[4-(phenylmethoxycarbonylamino)cyclohexyl]amino]acetic acid
CID 66563958
2-phenylmethoxyethyl N-cyclopropylcarbamate
CID 141440519
benzyl N-(3-amino-4-hydroxycyclohexyl)carbamate
CID 130143236

Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-iodocyclohexyl)carbamate?
The IUPAC name of benzyl N-(4-iodocyclohexyl)carbamate (CID 66569099) is benzyl N-(4-iodocyclohexyl)carbamate.
What is the SMILES notation for benzyl N-(4-iodocyclohexyl)carbamate?
The canonical SMILES for benzyl N-(4-iodocyclohexyl)carbamate is O=C(NC1CCC(I)CC1)OCc1ccccc1.
What is the InChIKey of benzyl N-(4-iodocyclohexyl)carbamate?
The InChIKey is JFTNWQVLMRFZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO2/c15-12-6-8-13(9-7-12)16-14(17)18-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,16,17).
What are the key properties of benzyl N-(4-iodocyclohexyl)carbamate?
benzyl N-(4-iodocyclohexyl)carbamate has a molecular weight of 359.21 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-iodocyclohexyl)carbamate is sourced from PubChem (CID 66569099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).