benzyl N-[(4-carbamoyl-1-bicyclo[2.2.2]octanyl)methyl]carbamate

C18H24N2O3 — CID 171157569

IUPACbenzyl N-[(4-carbamoyl-1-bicyclo[2.2.2]octanyl)methyl]carbamate
SMILESNC(=O)C12CCC(CNC(=O)OCc3ccccc3)(CC1)CC2
InChIInChI=1S/C18H24N2O3/c19-15(21)18-9-6-17(7-10-18,8-11-18)13-20-16(22)23-12-14-4-2-1-3-5-14/h1-5H,6-13H2,(H2,19,21)(H,20,22)
InChIKeyBFLWNSRPLYOKLS-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.74
Rot. Bonds5

About benzyl N-[(4-carbamoyl-1-bicyclo[2.2.2]octanyl)methyl]carbamate

benzyl N-[(4-carbamoyl-1-bicyclo[2.2.2]octanyl)methyl]carbamate (PubChem CID 171157569) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is benzyl N-[(4-carbamoyl-1-bicyclo[2.2.2]octanyl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(4-carbamoyl-1-bicyclo[2.2.2]octanyl)methyl]carbamate
PubChem CID171157569
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Namebenzyl N-[(4-carbamoyl-1-bicyclo[2.2.2]octanyl)methyl]carbamate
SMILESNC(=O)C12CCC(CNC(=O)OCc3ccccc3)(CC1)CC2
InChIInChI=1S/C18H24N2O3/c19-15(21)18-9-6-17(7-10-18,8-11-18)13-20-16(22)23-12-14-4-2-1-3-5-14/h1-5H,6-13H2,(H2,19,21)(H,20,22)
InChIKeyBFLWNSRPLYOKLS-UHFFFAOYSA-N
XLogP2.74
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(4-carbamoyl-1-bicyclo[2.2.2]octanyl)carbamate
CID 23150697
1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid
CID 69223765
benzyl N-[(1-aminocycloheptyl)methyl]carbamate
CID 66523425
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[(3-amino-1-hydroxycyclobutyl)methyl]carbamate
CID 168763151
benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
ethyl 1-(phenylmethoxycarbonylaminomethyl)cyclopropane-1-carboxylate
CID 139907855
4-(phenylmethoxycarbonylaminomethyl)oxane-4-carboxylic acid
CID 91667078
benzyl N-[[(4R)-4-hydroxyazepan-4-yl]methyl]carbamate
CID 125117285
benzyl N-(5-carbamoyl-1-bicyclo[3.2.1]octanyl)carbamate;5-(phenylmethoxycarbonylamino)bicyclo[3.2.1]octane-1-carboxylic acid
CID 160751421
benzyl N-(carbamoylamino)carbamate
CID 141421180
benzyl N-[[6-(phenylmethoxycarbonylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]carbamate
CID 71477342

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(4-carbamoyl-1-bicyclo[2.2.2]octanyl)methyl]carbamate?
The IUPAC name of benzyl N-[(4-carbamoyl-1-bicyclo[2.2.2]octanyl)methyl]carbamate (CID 171157569) is benzyl N-[(4-carbamoyl-1-bicyclo[2.2.2]octanyl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(4-carbamoyl-1-bicyclo[2.2.2]octanyl)methyl]carbamate?
The canonical SMILES for benzyl N-[(4-carbamoyl-1-bicyclo[2.2.2]octanyl)methyl]carbamate is NC(=O)C12CCC(CNC(=O)OCc3ccccc3)(CC1)CC2.
What is the InChIKey of benzyl N-[(4-carbamoyl-1-bicyclo[2.2.2]octanyl)methyl]carbamate?
The InChIKey is BFLWNSRPLYOKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c19-15(21)18-9-6-17(7-10-18,8-11-18)13-20-16(22)23-12-14-4-2-1-3-5-14/h1-5H,6-13H2,(H2,19,21)(H,20,22).
What are the key properties of benzyl N-[(4-carbamoyl-1-bicyclo[2.2.2]octanyl)methyl]carbamate?
benzyl N-[(4-carbamoyl-1-bicyclo[2.2.2]octanyl)methyl]carbamate has a molecular weight of 316.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(4-carbamoyl-1-bicyclo[2.2.2]octanyl)methyl]carbamate is sourced from PubChem (CID 171157569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).