(8-hydroxy-1,5-diphenyl-8-azabicyclo[3.2.1]octan-3-yl) N-ethylcarbamate

C22H26N2O3 — CID 123162861

IUPAC(8-hydroxy-1,5-diphenyl-8-azabicyclo[3.2.1]octan-3-yl) N-ethylcarbamate
SMILESCCNC(=O)OC1CC2(c3ccccc3)CCC(c3ccccc3)(C1)N2O
InChIInChI=1S/C22H26N2O3/c1-2-23-20(25)27-19-15-21(17-9-5-3-6-10-17)13-14-22(16-19,24(21)26)18-11-7-4-8-12-18/h3-12,19,26H,2,13-16H2,1H3,(H,23,25)
InChIKeyPQHDHQDNTADJMA-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.17
Rot. Bonds4

About (8-hydroxy-1,5-diphenyl-8-azabicyclo[3.2.1]octan-3-yl) N-ethylcarbamate

(8-hydroxy-1,5-diphenyl-8-azabicyclo[3.2.1]octan-3-yl) N-ethylcarbamate (PubChem CID 123162861) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (8-hydroxy-1,5-diphenyl-8-azabicyclo[3.2.1]octan-3-yl) N-ethylcarbamate.

Molecular Properties

Compound Name(8-hydroxy-1,5-diphenyl-8-azabicyclo[3.2.1]octan-3-yl) N-ethylcarbamate
PubChem CID123162861
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(8-hydroxy-1,5-diphenyl-8-azabicyclo[3.2.1]octan-3-yl) N-ethylcarbamate
SMILESCCNC(=O)OC1CC2(c3ccccc3)CCC(c3ccccc3)(C1)N2O
InChIInChI=1S/C22H26N2O3/c1-2-23-20(25)27-19-15-21(17-9-5-3-6-10-17)13-14-22(16-19,24(21)26)18-11-7-4-8-12-18/h3-12,19,26H,2,13-16H2,1H3,(H,23,25)
InChIKeyPQHDHQDNTADJMA-UHFFFAOYSA-N
XLogP4.17
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 134941798
CID 134941798
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CID 10003506
(8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-6-en-3-yl) N-benzhydrylcarbamate
CID 10366111
(1-methylpiperidin-4-yl) N-benzhydrylcarbamate
CID 10615982
4-Piperidyl benzhydrylcarbamate
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tert-butyl N-[1-(2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl)-2-cyclohexylethyl]carbamate
CID 14621869
(1-tert-butylpiperidin-4-yl) N-benzhydrylcarbamate
CID 20624964
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CID 21330373
(1-benzhydrylpiperidin-4-yl) N-ethylcarbamate
CID 23381390
(4R)-4-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]methyl]-1,3-oxazinan-2-one
CID 42603113
(4S)-4-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]methyl]-1,3-oxazinan-2-one
CID 42603154
4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazinan-2-one
CID 42603238

Frequently Asked Questions

What is the IUPAC name of (8-hydroxy-1,5-diphenyl-8-azabicyclo[3.2.1]octan-3-yl) N-ethylcarbamate?
The IUPAC name of (8-hydroxy-1,5-diphenyl-8-azabicyclo[3.2.1]octan-3-yl) N-ethylcarbamate (CID 123162861) is (8-hydroxy-1,5-diphenyl-8-azabicyclo[3.2.1]octan-3-yl) N-ethylcarbamate.
What is the SMILES notation for (8-hydroxy-1,5-diphenyl-8-azabicyclo[3.2.1]octan-3-yl) N-ethylcarbamate?
The canonical SMILES for (8-hydroxy-1,5-diphenyl-8-azabicyclo[3.2.1]octan-3-yl) N-ethylcarbamate is CCNC(=O)OC1CC2(c3ccccc3)CCC(c3ccccc3)(C1)N2O.
What is the InChIKey of (8-hydroxy-1,5-diphenyl-8-azabicyclo[3.2.1]octan-3-yl) N-ethylcarbamate?
The InChIKey is PQHDHQDNTADJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-2-23-20(25)27-19-15-21(17-9-5-3-6-10-17)13-14-22(16-19,24(21)26)18-11-7-4-8-12-18/h3-12,19,26H,2,13-16H2,1H3,(H,23,25).
What are the key properties of (8-hydroxy-1,5-diphenyl-8-azabicyclo[3.2.1]octan-3-yl) N-ethylcarbamate?
(8-hydroxy-1,5-diphenyl-8-azabicyclo[3.2.1]octan-3-yl) N-ethylcarbamate has a molecular weight of 366.46 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-hydroxy-1,5-diphenyl-8-azabicyclo[3.2.1]octan-3-yl) N-ethylcarbamate is sourced from PubChem (CID 123162861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).