benzyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-benzylcarbamate

C22H26N2O2 — CID 175103285

IUPACbenzyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-benzylcarbamate
SMILESO=C(OCc1ccccc1)N(Cc1ccccc1)C1CN2CCC1CC2
InChIInChI=1S/C22H26N2O2/c25-22(26-17-19-9-5-2-6-10-19)24(15-18-7-3-1-4-8-18)21-16-23-13-11-20(21)12-14-23/h1-10,20-21H,11-17H2
InChIKeyDAPBVABVVSIQKD-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.92
Rot. Bonds5

About benzyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-benzylcarbamate

benzyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-benzylcarbamate (PubChem CID 175103285) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is benzyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-benzylcarbamate.

Molecular Properties

Compound Namebenzyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-benzylcarbamate
PubChem CID175103285
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Namebenzyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-benzylcarbamate
SMILESO=C(OCc1ccccc1)N(Cc1ccccc1)C1CN2CCC1CC2
InChIInChI=1S/C22H26N2O2/c25-22(26-17-19-9-5-2-6-10-19)24(15-18-7-3-1-4-8-18)21-16-23-13-11-20(21)12-14-23/h1-10,20-21H,11-17H2
InChIKeyDAPBVABVVSIQKD-UHFFFAOYSA-N
XLogP3.92
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 68612218
benzyl N-benzyl-N-[1-(2-fluorophenyl)-3-methoxypiperidin-4-yl]carbamate
CID 141335263
benzyl N-benzyl-N-[(1R,2R,3R,4S)-5-oxo-2,3,4-tris(phenylmethoxy)cycloheptyl]carbamate
CID 13006318
benzyl N-cyclopropyl-N-propylcarbamate
CID 130159300
tert-butyl 2-[benzyl(phenylmethoxycarbonyl)amino]-6-azabicyclo[3.1.0]hexane-6-carboxylate
CID 167445473
(3R)-3-[carboxymethyl(phenylmethoxycarbonyl)amino]pyrrolidine-1-carboxylic acid
CID 140554013
benzyl N-benzyl-N-[(3R)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-oxoazetidin-3-yl]carbamate
CID 91991943
3-[(3R,4S)-4-[benzyl(phenylmethoxycarbonyl)amino]-3-methoxypiperidin-1-yl]-5-methylbenzoic acid
CID 142729240
benzyl N-[[(3R)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylcarbamate
CID 96553991
benzyl N-benzyl-N-[benzyl(phenylmethoxycarbonyl)amino]oxycarbamate
CID 57277230
benzyl N-cyclopropyl-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate
CID 66566520
benzyl N-[1-(2-aminoacetyl)piperidin-4-yl]-N-ethylcarbamate
CID 66566688

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-benzylcarbamate?
The IUPAC name of benzyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-benzylcarbamate (CID 175103285) is benzyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-benzylcarbamate.
What is the SMILES notation for benzyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-benzylcarbamate?
The canonical SMILES for benzyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-benzylcarbamate is O=C(OCc1ccccc1)N(Cc1ccccc1)C1CN2CCC1CC2.
What is the InChIKey of benzyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-benzylcarbamate?
The InChIKey is DAPBVABVVSIQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c25-22(26-17-19-9-5-2-6-10-19)24(15-18-7-3-1-4-8-18)21-16-23-13-11-20(21)12-14-23/h1-10,20-21H,11-17H2.
What are the key properties of benzyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-benzylcarbamate?
benzyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-benzylcarbamate has a molecular weight of 350.46 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-benzylcarbamate is sourced from PubChem (CID 175103285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).