N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide

C24H26N2O3 — CID 7525551

IUPACN-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C24H26N2O3/c1-2-28-21-11-9-19(10-12-21)24(27)25-16-22(23-8-5-15-29-23)26-14-13-18-6-3-4-7-20(18)17-26/h3-12,15,22H,2,13-14,16-17H2,1H3,(H,25,27)/t22-/m0/s1
InChIKeyWWPNSDLBHVTVIS-QFIPXVFZSA-N
MW390.48 g/mol
LogP4.21
Rot. Bonds7

About N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide

N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide (PubChem CID 7525551) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide
PubChem CID7525551
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC NameN-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C24H26N2O3/c1-2-28-21-11-9-19(10-12-21)24(27)25-16-22(23-8-5-15-29-23)26-14-13-18-6-3-4-7-20(18)17-26/h3-12,15,22H,2,13-14,16-17H2,1H3,(H,25,27)/t22-/m0/s1
InChIKeyWWPNSDLBHVTVIS-QFIPXVFZSA-N
XLogP4.21
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide
CID 7525308
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-4-nitrobenzamide
CID 7525557
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(dimethylamino)phenyl]ethyl]-4-ethoxybenzamide
CID 27652351
3-bromo-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]benzamide
CID 42545857
4-ethoxy-N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide
CID 41234776
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide
CID 7525541
2-chloro-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]benzamide
CID 7525467
N'-tert-butyl-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]oxamide
CID 7525907
N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-N-(2-methylpropyl)oxamide
CID 18577632
4-ethoxy-N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide
CID 41234704
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-N'-(4-methoxyphenyl)oxamide
CID 7525825
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-phenylmethoxybenzamide
CID 17390945

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide?
The IUPAC name of N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide (CID 7525551) is N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide?
The canonical SMILES for N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc3C2)cc1.
What is the InChIKey of N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide?
The InChIKey is WWPNSDLBHVTVIS-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-2-28-21-11-9-19(10-12-21)24(27)25-16-22(23-8-5-15-29-23)26-14-13-18-6-3-4-7-20(18)17-26/h3-12,15,22H,2,13-14,16-17H2,1H3,(H,25,27)/t22-/m0/s1.
What are the key properties of N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide?
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide has a molecular weight of 390.48 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide is sourced from PubChem (CID 7525551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).