tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(3,3-dimethylcyclobutyl)carbamate

C22H34N2O2 — CID 167503825

IUPACtert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(3,3-dimethylcyclobutyl)carbamate
SMILESCC1(C)CC(N(C(=O)OC(C)(C)C)C2CCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C22H34N2O2/c1-21(2,3)26-20(25)24(19-13-22(4,5)14-19)18-11-12-23(16-18)15-17-9-7-6-8-10-17/h6-10,18-19H,11-16H2,1-5H3
InChIKeyLHVQVMRXBBBYPW-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.69
Rot. Bonds4

About tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(3,3-dimethylcyclobutyl)carbamate

tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(3,3-dimethylcyclobutyl)carbamate (PubChem CID 167503825) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(3,3-dimethylcyclobutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(3,3-dimethylcyclobutyl)carbamate
PubChem CID167503825
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Nametert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(3,3-dimethylcyclobutyl)carbamate
SMILESCC1(C)CC(N(C(=O)OC(C)(C)C)C2CCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C22H34N2O2/c1-21(2,3)26-20(25)24(19-13-22(4,5)14-19)18-11-12-23(16-18)15-17-9-7-6-8-10-17/h6-10,18-19H,11-16H2,1-5H3
InChIKeyLHVQVMRXBBBYPW-UHFFFAOYSA-N
XLogP4.69
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(1-benzylpiperidin-4-yl)-N-(4-cyano-4-phenylcyclohexyl)carbamate
CID 54357267
tert-butyl N-(1-benzylpiperidin-3-yl)-N-tert-butylcarbamate
CID 140627422
tert-butyl N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-N-methylcarbamate
CID 170788354
tert-butyl N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 86339983
tert-butyl N-[(3S)-1-benzylpyrrolidin-3-yl]-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate
CID 58395857
methyl 2-[(1-benzylpiperidin-4-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 67597365
tert-butyl (3R)-1-benzylpyrrolidine-3-carboxylate
CID 53487886
tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate
CID 67330677
N-(1-benzylpyrrolidin-3-yl)-3,3-difluoro-N-methylcyclobutane-1-carboxamide
CID 136515164
tert-butyl N-[(2R)-4-benzylmorpholin-2-yl]-N-methylcarbamate
CID 124637607
tert-butyl N-[(2S)-4-benzylmorpholin-2-yl]-N-methylcarbamate
CID 124637606
tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
CID 10286119

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(3,3-dimethylcyclobutyl)carbamate?
The IUPAC name of tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(3,3-dimethylcyclobutyl)carbamate (CID 167503825) is tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(3,3-dimethylcyclobutyl)carbamate.
What is the SMILES notation for tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(3,3-dimethylcyclobutyl)carbamate?
The canonical SMILES for tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(3,3-dimethylcyclobutyl)carbamate is CC1(C)CC(N(C(=O)OC(C)(C)C)C2CCN(Cc3ccccc3)C2)C1.
What is the InChIKey of tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(3,3-dimethylcyclobutyl)carbamate?
The InChIKey is LHVQVMRXBBBYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-21(2,3)26-20(25)24(19-13-22(4,5)14-19)18-11-12-23(16-18)15-17-9-7-6-8-10-17/h6-10,18-19H,11-16H2,1-5H3.
What are the key properties of tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(3,3-dimethylcyclobutyl)carbamate?
tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(3,3-dimethylcyclobutyl)carbamate has a molecular weight of 358.53 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(3,3-dimethylcyclobutyl)carbamate is sourced from PubChem (CID 167503825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).