N-[2-[5-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]furan-2-yl]phenyl]-2,2-dimethylpropanamide

C25H32N2O3 — CID 58707726

IUPACN-[2-[5-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]furan-2-yl]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccccc1-c1ccc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)o1
InChIInChI=1S/C25H32N2O3/c1-25(2,3)24(29)26-19-12-6-5-11-18(19)21-14-15-22(30-21)23(28)27-16-8-10-17-9-4-7-13-20(17)27/h5-6,11-12,14-15,17,20H,4,7-10,13,16H2,1-3H3,(H,26,29)/t17-,20-/m0/s1
InChIKeyKUHQDVAHTOWMIB-PXNSSMCTSA-N
MW408.54 g/mol
LogP5.73
Rot. Bonds3

About N-[2-[5-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]furan-2-yl]phenyl]-2,2-dimethylpropanamide

N-[2-[5-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]furan-2-yl]phenyl]-2,2-dimethylpropanamide (PubChem CID 58707726) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is N-[2-[5-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]furan-2-yl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[5-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]furan-2-yl]phenyl]-2,2-dimethylpropanamide
PubChem CID58707726
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC NameN-[2-[5-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]furan-2-yl]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccccc1-c1ccc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)o1
InChIInChI=1S/C25H32N2O3/c1-25(2,3)24(29)26-19-12-6-5-11-18(19)21-14-15-22(30-21)23(28)27-16-8-10-17-9-4-7-13-20(17)27/h5-6,11-12,14-15,17,20H,4,7-10,13,16H2,1-3H3,(H,26,29)/t17-,20-/m0/s1
InChIKeyKUHQDVAHTOWMIB-PXNSSMCTSA-N
XLogP5.73
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[5-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]furan-2-yl]phenyl]-2,2-dimethylpropanamide 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-[(2S)-2-cyclopentylpyrrolidine-1-carbonyl]furan-2-carboxylic acid
CID 124574551
5-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]furan-2-carboxylic acid
CID 124574550
N-[3-[5-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]furan-2-yl]phenyl]benzamide
CID 58707833
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(5-bromofuran-2-yl)methanone
CID 102726484
5-[(4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl]furan-2-carboxylic acid
CID 124574603
5-(2-acetamidophenyl)furan-2-carboxylic acid
CID 91687919
1-(2-cyclohexylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one
CID 64593206
N-[[5-[(2S)-2-cyclohexylazepane-1-carbonyl]furan-2-yl]methyl]acetamide
CID 97028510
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-methyl-1H-inden-2-yl)methanone
CID 58707760
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-methyl-1H-inden-2-yl)methanone
CID 58707882
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[5-[(2-fluorophenoxy)methyl]furan-2-yl]methanone
CID 51955546
N-[(3R)-6-methyl-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide
CID 87999259

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]furan-2-yl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[5-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]furan-2-yl]phenyl]-2,2-dimethylpropanamide (CID 58707726) is N-[2-[5-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]furan-2-yl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[5-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]furan-2-yl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[5-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]furan-2-yl]phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccccc1-c1ccc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)o1.
What is the InChIKey of N-[2-[5-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]furan-2-yl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is KUHQDVAHTOWMIB-PXNSSMCTSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-25(2,3)24(29)26-19-12-6-5-11-18(19)21-14-15-22(30-21)23(28)27-16-8-10-17-9-4-7-13-20(17)27/h5-6,11-12,14-15,17,20H,4,7-10,13,16H2,1-3H3,(H,26,29)/t17-,20-/m0/s1.
What are the key properties of N-[2-[5-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]furan-2-yl]phenyl]-2,2-dimethylpropanamide?
N-[2-[5-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]furan-2-yl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 408.54 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]furan-2-yl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 58707726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).