benzyl N-[2-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethyl]carbamate

C17H24N2O3 — CID 171936869

IUPACbenzyl N-[2-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethyl]carbamate
SMILESO=C(NCCC1CC2COCC(C1)N2)OCc1ccccc1
InChIInChI=1S/C17H24N2O3/c20-17(22-10-13-4-2-1-3-5-13)18-7-6-14-8-15-11-21-12-16(9-14)19-15/h1-5,14-16,19H,6-12H2,(H,18,20)
InChIKeyFHLOTHUKHSJPLK-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.07
Rot. Bonds5

About benzyl N-[2-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethyl]carbamate

benzyl N-[2-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethyl]carbamate (PubChem CID 171936869) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is benzyl N-[2-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethyl]carbamate
PubChem CID171936869
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namebenzyl N-[2-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethyl]carbamate
SMILESO=C(NCCC1CC2COCC(C1)N2)OCc1ccccc1
InChIInChI=1S/C17H24N2O3/c20-17(22-10-13-4-2-1-3-5-13)18-7-6-14-8-15-11-21-12-16(9-14)19-15/h1-5,14-16,19H,6-12H2,(H,18,20)
InChIKeyFHLOTHUKHSJPLK-UHFFFAOYSA-N
XLogP2.07
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]carbamate
CID 171936856
benzyl N-[2-(9-thiabicyclo[3.3.1]nonan-3-yl)ethyl]carbamate
CID 171936866
benzyl N-[2-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)ethyl]carbamate
CID 171936859
benzyl N-(oxetan-3-ylmethyl)carbamate
CID 155920910
benzyl N-[2-[(3S)-pyrrolidin-3-yl]ethyl]carbamate
CID 97170433
benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclobutyl]carbamate
CID 176911085
benzyl N-[2-(tetrazolidin-5-yl)ethyl]carbamate
CID 138059308
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
9H-fluoren-9-ylmethyl N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]carbamate
CID 171951138
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-[3-(2-aminoethyl)cyclobutyl]carbamate
CID 176910998

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[2-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethyl]carbamate (CID 171936869) is benzyl N-[2-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethyl]carbamate is O=C(NCCC1CC2COCC(C1)N2)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethyl]carbamate?
The InChIKey is FHLOTHUKHSJPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-17(22-10-13-4-2-1-3-5-13)18-7-6-14-8-15-11-21-12-16(9-14)19-15/h1-5,14-16,19H,6-12H2,(H,18,20).
What are the key properties of benzyl N-[2-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethyl]carbamate?
benzyl N-[2-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethyl]carbamate has a molecular weight of 304.39 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethyl]carbamate is sourced from PubChem (CID 171936869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).