benzyl N-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]carbamate

C17H23NO3 — CID 171936856

IUPACbenzyl N-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]carbamate
SMILESO=C(NCCC1CC2CCC(C1)O2)OCc1ccccc1
InChIInChI=1S/C17H23NO3/c19-17(20-12-13-4-2-1-3-5-13)18-9-8-14-10-15-6-7-16(11-14)21-15/h1-5,14-16H,6-12H2,(H,18,19)
InChIKeySYKWSENYUWOOAK-UHFFFAOYSA-N
MW289.37 g/mol
LogP3.26
Rot. Bonds5

About benzyl N-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]carbamate

benzyl N-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]carbamate (PubChem CID 171936856) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is benzyl N-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]carbamate
PubChem CID171936856
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Namebenzyl N-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]carbamate
SMILESO=C(NCCC1CC2CCC(C1)O2)OCc1ccccc1
InChIInChI=1S/C17H23NO3/c19-17(20-12-13-4-2-1-3-5-13)18-9-8-14-10-15-6-7-16(11-14)21-15/h1-5,14-16H,6-12H2,(H,18,19)
InChIKeySYKWSENYUWOOAK-UHFFFAOYSA-N
XLogP3.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[2-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)ethyl]carbamate
CID 171936859
9H-fluoren-9-ylmethyl N-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]carbamate
CID 171951144
benzyl N-[2-(9-thiabicyclo[3.3.1]nonan-3-yl)ethyl]carbamate
CID 171936866
benzyl N-[2-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethyl]carbamate
CID 171936869
benzyl N-[2-[(3S)-pyrrolidin-3-yl]ethyl]carbamate
CID 97170433
benzyl N-[2-(6-hydroxyoxan-2-yl)ethyl]carbamate
CID 143369684
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclobutyl]carbamate
CID 176911085
3-(phenylmethoxycarbonylamino)-8-oxabicyclo[3.2.1]octane-3-carboxylic acid
CID 167724163
benzyl N-[2-(tetrazolidin-5-yl)ethyl]carbamate
CID 138059308
2-phenylethyl N-(2-cyclopentylethyl)carbamate
CID 54511060
2-[2-(phenylmethoxycarbonylamino)ethylamino]acetic acid
CID 10354829

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]carbamate (CID 171936856) is benzyl N-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]carbamate is O=C(NCCC1CC2CCC(C1)O2)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]carbamate?
The InChIKey is SYKWSENYUWOOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c19-17(20-12-13-4-2-1-3-5-13)18-9-8-14-10-15-6-7-16(11-14)21-15/h1-5,14-16H,6-12H2,(H,18,19).
What are the key properties of benzyl N-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]carbamate?
benzyl N-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]carbamate has a molecular weight of 289.37 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]carbamate is sourced from PubChem (CID 171936856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).