N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)propanamide

C21H26N2O2 — CID 86934136

IUPACN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)NC1CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C21H26N2O2/c24-21(11-10-20-7-4-12-25-20)22-17-13-18-8-9-19(14-17)23(18)15-16-5-2-1-3-6-16/h1-7,12,17-19H,8-11,13-15H2,(H,22,24)
InChIKeyGUPWFASDGBZGSK-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.52
Rot. Bonds6

About N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)propanamide

N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)propanamide (PubChem CID 86934136) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)propanamide
PubChem CID86934136
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)NC1CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C21H26N2O2/c24-21(11-10-20-7-4-12-25-20)22-17-13-18-8-9-19(14-17)23(18)15-16-5-2-1-3-6-16/h1-7,12,17-19H,8-11,13-15H2,(H,22,24)
InChIKeyGUPWFASDGBZGSK-UHFFFAOYSA-N
XLogP3.52
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)propanamide
CID 95316735
N-(3-aminocyclobutyl)-3-(furan-2-yl)propanamide
CID 43594940
1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine
CID 110055948
3-(furan-2-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45244355
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-cyclopentyloxyacetamide
CID 71876739
1-[(1S,5S)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-(2-phenylphenyl)urea
CID 98110019
3-(furan-2-yl)-N-(2-methylpiperidin-4-yl)propanamide
CID 106995480
N-[8-(1,3-benzodioxol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylacetamide
CID 45144945
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 70122183
N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-phenylpropanamide
CID 99987386
N-[(1R,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide
CID 56679119
2-[3-(furan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 64813064

Frequently Asked Questions

What is the IUPAC name of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)propanamide?
The IUPAC name of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)propanamide (CID 86934136) is N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)propanamide?
The canonical SMILES for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)propanamide is O=C(CCc1ccco1)NC1CC2CCC(C1)N2Cc1ccccc1.
What is the InChIKey of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)propanamide?
The InChIKey is GUPWFASDGBZGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c24-21(11-10-20-7-4-12-25-20)22-17-13-18-8-9-19(14-17)23(18)15-16-5-2-1-3-6-16/h1-7,12,17-19H,8-11,13-15H2,(H,22,24).
What are the key properties of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)propanamide?
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)propanamide has a molecular weight of 338.45 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)propanamide is sourced from PubChem (CID 86934136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).