5-[(4-acetylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide

C22H26N2O4 — CID 19455341

IUPAC5-[(4-acetylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide
SMILESCC(=O)c1ccc(OCc2ccc(C(=O)NC3CC4CCC(C3)N4C)o2)cc1
InChIInChI=1S/C22H26N2O4/c1-14(25)15-3-7-19(8-4-15)27-13-20-9-10-21(28-20)22(26)23-16-11-17-5-6-18(12-16)24(17)2/h3-4,7-10,16-18H,5-6,11-13H2,1-2H3,(H,23,26)
InChIKeyHHESLDQREBCMSF-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.42
Rot. Bonds6

About 5-[(4-acetylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide

5-[(4-acetylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide (PubChem CID 19455341) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 5-[(4-acetylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-acetylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide
PubChem CID19455341
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name5-[(4-acetylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide
SMILESCC(=O)c1ccc(OCc2ccc(C(=O)NC3CC4CCC(C3)N4C)o2)cc1
InChIInChI=1S/C22H26N2O4/c1-14(25)15-3-7-19(8-4-15)27-13-20-9-10-21(28-20)22(26)23-16-11-17-5-6-18(12-16)24(17)2/h3-4,7-10,16-18H,5-6,11-13H2,1-2H3,(H,23,26)
InChIKeyHHESLDQREBCMSF-UHFFFAOYSA-N
XLogP3.42
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(4-acetylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide 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

5-[(4-acetylphenoxy)methyl]-N-cyclopentylfuran-2-carboxamide
CID 19455175
5-[(3-chlorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide
CID 19446237
5-[(2,4-difluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide
CID 19453314
5-[(4-chloro-2-methylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide
CID 19457564
methyl 4-[[5-(cyclododecylcarbamoyl)furan-2-yl]methoxy]benzoate
CID 17024109
N-cyclopropyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19446522
N-cycloheptyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 1011914
N-(4-acetamidophenyl)-5-[(4-acetylphenoxy)methyl]furan-2-carboxamide
CID 19455187
5-[(4-tert-butylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide
CID 998142
N-cyclohexyl-5-(phenoxymethyl)furan-2-carboxamide
CID 24980847
5-[(4-acetylphenoxy)methyl]-N-(cyclopropylmethyl)-N-methylfuran-2-carboxamide
CID 95748484
5-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]furan-2-carboxylic acid
CID 22683768

Frequently Asked Questions

What is the IUPAC name of 5-[(4-acetylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide?
The IUPAC name of 5-[(4-acetylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide (CID 19455341) is 5-[(4-acetylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-acetylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-acetylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide is CC(=O)c1ccc(OCc2ccc(C(=O)NC3CC4CCC(C3)N4C)o2)cc1.
What is the InChIKey of 5-[(4-acetylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide?
The InChIKey is HHESLDQREBCMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-14(25)15-3-7-19(8-4-15)27-13-20-9-10-21(28-20)22(26)23-16-11-17-5-6-18(12-16)24(17)2/h3-4,7-10,16-18H,5-6,11-13H2,1-2H3,(H,23,26).
What are the key properties of 5-[(4-acetylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide?
5-[(4-acetylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-acetylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide is sourced from PubChem (CID 19455341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).