benzyl N-[(1S,2S,3S,4R)-3-ethyl-2-bicyclo[2.2.1]heptanyl]carbamate

C17H23NO2 — CID 171422180

IUPACbenzyl N-[(1S,2S,3S,4R)-3-ethyl-2-bicyclo[2.2.1]heptanyl]carbamate
SMILESCC[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C17H23NO2/c1-2-15-13-8-9-14(10-13)16(15)18-17(19)20-11-12-6-4-3-5-7-12/h3-7,13-16H,2,8-11H2,1H3,(H,18,19)/t13-,14+,15+,16+/m1/s1
InChIKeyFNBRUYLUQLBSFH-UGUYLWEFSA-N
MW273.38 g/mol
LogP3.74
Rot. Bonds4

About benzyl N-[(1S,2S,3S,4R)-3-ethyl-2-bicyclo[2.2.1]heptanyl]carbamate

benzyl N-[(1S,2S,3S,4R)-3-ethyl-2-bicyclo[2.2.1]heptanyl]carbamate (PubChem CID 171422180) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is benzyl N-[(1S,2S,3S,4R)-3-ethyl-2-bicyclo[2.2.1]heptanyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S,2S,3S,4R)-3-ethyl-2-bicyclo[2.2.1]heptanyl]carbamate
PubChem CID171422180
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Namebenzyl N-[(1S,2S,3S,4R)-3-ethyl-2-bicyclo[2.2.1]heptanyl]carbamate
SMILESCC[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C17H23NO2/c1-2-15-13-8-9-14(10-13)16(15)18-17(19)20-11-12-6-4-3-5-7-12/h3-7,13-16H,2,8-11H2,1H3,(H,18,19)/t13-,14+,15+,16+/m1/s1
InChIKeyFNBRUYLUQLBSFH-UGUYLWEFSA-N
XLogP3.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze benzyl N-[(1S,2S,3S,4R)-3-ethyl-2-bicyclo[2.2.1]heptanyl]carbamate with MolForge

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Related Compounds

methyl 3-(phenylmethoxycarbonylamino)bicyclo[2.2.1]heptane-2-carboxylate
CID 54337610
benzyl N-(6-hydroxy-2-bicyclo[3.3.1]nonanyl)carbamate
CID 68556132
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-(2-azabicyclo[2.1.1]hexan-5-yl)carbamate
CID 122156999
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
CID 138958096
benzyl N-(4-propylcyclohexyl)carbamate
CID 130580975
benzyl N-(3-azabicyclo[4.1.0]heptan-7-yl)carbamate
CID 117045629
benzyl N-[(1S,2R)-4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 58822147
benzyl N-[4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 14423415
benzyl N-[(1S,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 70892702

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S,2S,3S,4R)-3-ethyl-2-bicyclo[2.2.1]heptanyl]carbamate?
The IUPAC name of benzyl N-[(1S,2S,3S,4R)-3-ethyl-2-bicyclo[2.2.1]heptanyl]carbamate (CID 171422180) is benzyl N-[(1S,2S,3S,4R)-3-ethyl-2-bicyclo[2.2.1]heptanyl]carbamate.
What is the SMILES notation for benzyl N-[(1S,2S,3S,4R)-3-ethyl-2-bicyclo[2.2.1]heptanyl]carbamate?
The canonical SMILES for benzyl N-[(1S,2S,3S,4R)-3-ethyl-2-bicyclo[2.2.1]heptanyl]carbamate is CC[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1S,2S,3S,4R)-3-ethyl-2-bicyclo[2.2.1]heptanyl]carbamate?
The InChIKey is FNBRUYLUQLBSFH-UGUYLWEFSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-15-13-8-9-14(10-13)16(15)18-17(19)20-11-12-6-4-3-5-7-12/h3-7,13-16H,2,8-11H2,1H3,(H,18,19)/t13-,14+,15+,16+/m1/s1.
What are the key properties of benzyl N-[(1S,2S,3S,4R)-3-ethyl-2-bicyclo[2.2.1]heptanyl]carbamate?
benzyl N-[(1S,2S,3S,4R)-3-ethyl-2-bicyclo[2.2.1]heptanyl]carbamate has a molecular weight of 273.38 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S,2S,3S,4R)-3-ethyl-2-bicyclo[2.2.1]heptanyl]carbamate is sourced from PubChem (CID 171422180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).