tert-butyl N-(8-phenyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate

C18H26N2O2 — CID 167388554

IUPACtert-butyl N-(8-phenyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC2CCC(C1)N2c1ccccc1
InChIInChI=1S/C18H26N2O2/c1-18(2,3)22-17(21)19-13-11-15-9-10-16(12-13)20(15)14-7-5-4-6-8-14/h4-8,13,15-16H,9-12H2,1-3H3,(H,19,21)
InChIKeyVOAQCRSBGGERSM-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.71
Rot. Bonds2

About tert-butyl N-(8-phenyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate

tert-butyl N-(8-phenyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate (PubChem CID 167388554) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is tert-butyl N-(8-phenyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(8-phenyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate
PubChem CID167388554
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Nametert-butyl N-(8-phenyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC2CCC(C1)N2c1ccccc1
InChIInChI=1S/C18H26N2O2/c1-18(2,3)22-17(21)19-13-11-15-9-10-16(12-13)20(15)14-7-5-4-6-8-14/h4-8,13,15-16H,9-12H2,1-3H3,(H,19,21)
InChIKeyVOAQCRSBGGERSM-UHFFFAOYSA-N
XLogP3.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(8-phenyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Boc-4-AP
CID 1491502
tert-butyl 4-(4-isopropylanilino)tetrahydro-1(2H)-pyridinecarboxylate
CID 2764198
Ethyl 4-[(4-methylphenyl)amino]-1-piperidinecarboxylate
CID 867182
Ethyl 4-[(4-fluorophenyl)amino]-1-piperidinecarboxylate
CID 868477
N-Boc Norfentanyl
CID 129076809
5-[(Diphenylamino)-methyl]-oxazolidin-2-one
CID 655109
Ethyl 4-[(3-methylphenyl)amino]-1-piperidinecarboxylate
CID 867285
tert-butyl 4-{[(anilinocarbonyl)amino]methyl}tetrahydro-1(2H)-pyridinecarboxylate
CID 2810482
tert-Butyl 4-(4-aminophenyl)piperazine-1-carboxylate
CID 11011301
(8-methyl-8-azabicyclo[3.2.1]octan-6-yl) N-phenylcarbamate
CID 44318716
8-azabicyclo[3.2.1]octan-6-yl N-phenylcarbamate
CID 44318717
3-(2-Methylpiperidin-1-yl)propyl hydrogen phenylcarbonimidate
CID 44605

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(8-phenyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate?
The IUPAC name of tert-butyl N-(8-phenyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate (CID 167388554) is tert-butyl N-(8-phenyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(8-phenyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(8-phenyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate is CC(C)(C)OC(=O)NC1CC2CCC(C1)N2c1ccccc1.
What is the InChIKey of tert-butyl N-(8-phenyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate?
The InChIKey is VOAQCRSBGGERSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-18(2,3)22-17(21)19-13-11-15-9-10-16(12-13)20(15)14-7-5-4-6-8-14/h4-8,13,15-16H,9-12H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-(8-phenyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate?
tert-butyl N-(8-phenyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate has a molecular weight of 302.42 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(8-phenyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate is sourced from PubChem (CID 167388554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).