N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(furan-2-yl)-2-hydroxy-4-(4-methoxyphenyl)butanamide

C22H28N2O4 — CID 67549165

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(furan-2-yl)-2-hydroxy-4-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(CCC(O)(C(=O)N[C@H]2CN3CCC2CC3)c2ccco2)cc1
InChIInChI=1S/C22H28N2O4/c1-27-18-6-4-16(5-7-18)8-11-22(26,20-3-2-14-28-20)21(25)23-19-15-24-12-9-17(19)10-13-24/h2-7,14,17,19,26H,8-13,15H2,1H3,(H,23,25)/t19-,22?/m0/s1
InChIKeyRZZHYIGRKJAJPZ-YDNXMHBPSA-N
MW384.48 g/mol
LogP2.32
Rot. Bonds7

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(furan-2-yl)-2-hydroxy-4-(4-methoxyphenyl)butanamide

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(furan-2-yl)-2-hydroxy-4-(4-methoxyphenyl)butanamide (PubChem CID 67549165) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(furan-2-yl)-2-hydroxy-4-(4-methoxyphenyl)butanamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(furan-2-yl)-2-hydroxy-4-(4-methoxyphenyl)butanamide
PubChem CID67549165
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(furan-2-yl)-2-hydroxy-4-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(CCC(O)(C(=O)N[C@H]2CN3CCC2CC3)c2ccco2)cc1
InChIInChI=1S/C22H28N2O4/c1-27-18-6-4-16(5-7-18)8-11-22(26,20-3-2-14-28-20)21(25)23-19-15-24-12-9-17(19)10-13-24/h2-7,14,17,19,26H,8-13,15H2,1H3,(H,23,25)/t19-,22?/m0/s1
InChIKeyRZZHYIGRKJAJPZ-YDNXMHBPSA-N
XLogP2.32
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1-(3-cyanopropyl)-1-azoniabicyclo[2.2.2]octan-3-yl]-2-(furan-2-yl)-2-hydroxy-4-(4-methoxyphenyl)butanamide
CID 10052782
N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 91948672
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 58675222
(1S)-N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 138717888
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
CID 18149409
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(3-methoxyphenoxy)benzamide
CID 10154995
5-[4-(2-aminoethyl)phenoxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)-2,3,4-trimethoxybenzamide;dihydrochloride
CID 171992013
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2,2-dimethylpropanamide
CID 952725
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2,2-dimethylpropanamide
CID 952724
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[(4-tert-butylphenoxy)methyl]furan-2-carboxamide
CID 91948491
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 110640542
N-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]furan-2-carboxamide
CID 42475396

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(furan-2-yl)-2-hydroxy-4-(4-methoxyphenyl)butanamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(furan-2-yl)-2-hydroxy-4-(4-methoxyphenyl)butanamide (CID 67549165) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(furan-2-yl)-2-hydroxy-4-(4-methoxyphenyl)butanamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(furan-2-yl)-2-hydroxy-4-(4-methoxyphenyl)butanamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(furan-2-yl)-2-hydroxy-4-(4-methoxyphenyl)butanamide is COc1ccc(CCC(O)(C(=O)N[C@H]2CN3CCC2CC3)c2ccco2)cc1.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(furan-2-yl)-2-hydroxy-4-(4-methoxyphenyl)butanamide?
The InChIKey is RZZHYIGRKJAJPZ-YDNXMHBPSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-27-18-6-4-16(5-7-18)8-11-22(26,20-3-2-14-28-20)21(25)23-19-15-24-12-9-17(19)10-13-24/h2-7,14,17,19,26H,8-13,15H2,1H3,(H,23,25)/t19-,22?/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(furan-2-yl)-2-hydroxy-4-(4-methoxyphenyl)butanamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(furan-2-yl)-2-hydroxy-4-(4-methoxyphenyl)butanamide has a molecular weight of 384.48 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(furan-2-yl)-2-hydroxy-4-(4-methoxyphenyl)butanamide is sourced from PubChem (CID 67549165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).