N-(furan-2-ylmethyl)-4-oxo-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]butanamide

C24H24N2O3 — CID 129384304

IUPACN-(furan-2-ylmethyl)-4-oxo-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]butanamide
SMILESO=C(CCC(=O)N1CCc2ccccc2[C@H]1c1ccccc1)NCc1ccco1
InChIInChI=1S/C24H24N2O3/c27-22(25-17-20-10-6-16-29-20)12-13-23(28)26-15-14-18-7-4-5-11-21(18)24(26)19-8-2-1-3-9-19/h1-11,16,24H,12-15,17H2,(H,25,27)/t24-/m1/s1
InChIKeyBGQVQZAJDKRFDV-XMMPIXPASA-N
MW388.47 g/mol
LogP3.85
Rot. Bonds6

About N-(furan-2-ylmethyl)-4-oxo-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]butanamide

N-(furan-2-ylmethyl)-4-oxo-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]butanamide (PubChem CID 129384304) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-oxo-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]butanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-oxo-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]butanamide
PubChem CID129384304
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC NameN-(furan-2-ylmethyl)-4-oxo-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]butanamide
SMILESO=C(CCC(=O)N1CCc2ccccc2[C@H]1c1ccccc1)NCc1ccco1
InChIInChI=1S/C24H24N2O3/c27-22(25-17-20-10-6-16-29-20)12-13-23(28)26-15-14-18-7-4-5-11-21(18)24(26)19-8-2-1-3-9-19/h1-11,16,24H,12-15,17H2,(H,25,27)/t24-/m1/s1
InChIKeyBGQVQZAJDKRFDV-XMMPIXPASA-N
XLogP3.85
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(furan-2-ylmethyl)-4-oxo-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]butanamide with MolForge

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Related Compounds

4-oxo-4-(1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-propylbutanamide
CID 46829598
4-oxo-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-propylbutanamide
CID 129384270
N-[(2-chlorophenyl)methyl]-4-oxo-4-[(1S)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]butanamide
CID 129384325
4-oxo-4-(1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-phenylethyl)butanamide
CID 46829826
N-[(3-fluorophenyl)methyl]-4-oxo-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]butanamide
CID 129384265
4-oxo-4-[(1S)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 129384283
N-[(2,4-dichlorophenyl)methyl]-4-oxo-4-(1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)butanamide
CID 46830010
methyl 1-(furan-2-ylmethylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 71794172
(1S)-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 41062345
N-(2-chlorophenyl)-4-oxo-4-[(1S)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]butanamide
CID 129384285
methyl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 67079072
4-[(2S)-2-formylpyrrolidin-1-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide
CID 14674759

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-oxo-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]butanamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-oxo-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]butanamide (CID 129384304) is N-(furan-2-ylmethyl)-4-oxo-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]butanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-oxo-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]butanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-oxo-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]butanamide is O=C(CCC(=O)N1CCc2ccccc2[C@H]1c1ccccc1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-oxo-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]butanamide?
The InChIKey is BGQVQZAJDKRFDV-XMMPIXPASA-N. The full InChI is InChI=1S/C24H24N2O3/c27-22(25-17-20-10-6-16-29-20)12-13-23(28)26-15-14-18-7-4-5-11-21(18)24(26)19-8-2-1-3-9-19/h1-11,16,24H,12-15,17H2,(H,25,27)/t24-/m1/s1.
What are the key properties of N-(furan-2-ylmethyl)-4-oxo-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]butanamide?
N-(furan-2-ylmethyl)-4-oxo-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]butanamide has a molecular weight of 388.47 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-oxo-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]butanamide is sourced from PubChem (CID 129384304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).