8-benzyl-N-[(3-phenylcyclobutyl)methyl]-8-azabicyclo[3.2.1]octane-3-carboxamide

C26H32N2O — CID 166183692

IUPAC8-benzyl-N-[(3-phenylcyclobutyl)methyl]-8-azabicyclo[3.2.1]octane-3-carboxamide
SMILESO=C(NCC1CC(c2ccccc2)C1)C1CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C26H32N2O/c29-26(27-17-20-13-22(14-20)21-9-5-2-6-10-21)23-15-24-11-12-25(16-23)28(24)18-19-7-3-1-4-8-19/h1-10,20,22-25H,11-18H2,(H,27,29)
InChIKeyOZAPBWOFXBGDBT-UHFFFAOYSA-N
MW388.56 g/mol
LogP4.74
Rot. Bonds6

About 8-benzyl-N-[(3-phenylcyclobutyl)methyl]-8-azabicyclo[3.2.1]octane-3-carboxamide

8-benzyl-N-[(3-phenylcyclobutyl)methyl]-8-azabicyclo[3.2.1]octane-3-carboxamide (PubChem CID 166183692) has the molecular formula C26H32N2O and a molecular weight of 388.56 g/mol. Its IUPAC name is 8-benzyl-N-[(3-phenylcyclobutyl)methyl]-8-azabicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

Compound Name8-benzyl-N-[(3-phenylcyclobutyl)methyl]-8-azabicyclo[3.2.1]octane-3-carboxamide
PubChem CID166183692
Molecular FormulaC26H32N2O
Molecular Weight388.56 g/mol
Exact Mass388.25
IUPAC Name8-benzyl-N-[(3-phenylcyclobutyl)methyl]-8-azabicyclo[3.2.1]octane-3-carboxamide
SMILESO=C(NCC1CC(c2ccccc2)C1)C1CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C26H32N2O/c29-26(27-17-20-13-22(14-20)21-9-5-2-6-10-21)23-15-24-11-12-25(16-23)28(24)18-19-7-3-1-4-8-19/h1-10,20,22-25H,11-18H2,(H,27,29)
InChIKeyOZAPBWOFXBGDBT-UHFFFAOYSA-N
XLogP4.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-benzyl-3-phenyl-8-azabicyclo[3.2.1]octane
CID 154275315
methyl (1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 129394412
tert-butyl N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate
CID 23577315
(1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane
CID 13382844
(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 51893267
2-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride
CID 70510965
1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methylprop-2-en-1-one
CID 171938910
(3S,6S)-1-benzyl-N-(cyclopropylmethyl)-6-phenylpiperidine-3-carboxamide
CID 98754943
[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 98113722
1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-methylbut-2-en-1-one
CID 171938309
(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
CID 12832104
3-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119885996

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-N-[(3-phenylcyclobutyl)methyl]-8-azabicyclo[3.2.1]octane-3-carboxamide?
The IUPAC name of 8-benzyl-N-[(3-phenylcyclobutyl)methyl]-8-azabicyclo[3.2.1]octane-3-carboxamide (CID 166183692) is 8-benzyl-N-[(3-phenylcyclobutyl)methyl]-8-azabicyclo[3.2.1]octane-3-carboxamide.
What is the SMILES notation for 8-benzyl-N-[(3-phenylcyclobutyl)methyl]-8-azabicyclo[3.2.1]octane-3-carboxamide?
The canonical SMILES for 8-benzyl-N-[(3-phenylcyclobutyl)methyl]-8-azabicyclo[3.2.1]octane-3-carboxamide is O=C(NCC1CC(c2ccccc2)C1)C1CC2CCC(C1)N2Cc1ccccc1.
What is the InChIKey of 8-benzyl-N-[(3-phenylcyclobutyl)methyl]-8-azabicyclo[3.2.1]octane-3-carboxamide?
The InChIKey is OZAPBWOFXBGDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O/c29-26(27-17-20-13-22(14-20)21-9-5-2-6-10-21)23-15-24-11-12-25(16-23)28(24)18-19-7-3-1-4-8-19/h1-10,20,22-25H,11-18H2,(H,27,29).
What are the key properties of 8-benzyl-N-[(3-phenylcyclobutyl)methyl]-8-azabicyclo[3.2.1]octane-3-carboxamide?
8-benzyl-N-[(3-phenylcyclobutyl)methyl]-8-azabicyclo[3.2.1]octane-3-carboxamide has a molecular weight of 388.56 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-N-[(3-phenylcyclobutyl)methyl]-8-azabicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 166183692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).