N-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)furan-2-carboxamide

C17H20N2O3 — CID 56861779

IUPACN-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)furan-2-carboxamide
SMILESCOCCNC(=O)c1ccc(-c2cccc3c2CCNC3)o1
InChIInChI=1S/C17H20N2O3/c1-21-10-9-19-17(20)16-6-5-15(22-16)14-4-2-3-12-11-18-8-7-13(12)14/h2-6,18H,7-11H2,1H3,(H,19,20)
InChIKeyZCWJIYILEYBNDU-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.97
Rot. Bonds5

About N-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)furan-2-carboxamide

N-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)furan-2-carboxamide (PubChem CID 56861779) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)furan-2-carboxamide
PubChem CID56861779
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)furan-2-carboxamide
SMILESCOCCNC(=O)c1ccc(-c2cccc3c2CCNC3)o1
InChIInChI=1S/C17H20N2O3/c1-21-10-9-19-17(20)16-6-5-15(22-16)14-4-2-3-12-11-18-8-7-13(12)14/h2-6,18H,7-11H2,1H3,(H,19,20)
InChIKeyZCWJIYILEYBNDU-UHFFFAOYSA-N
XLogP1.97
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-5-[3-(piperidin-4-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 121495496
N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 113426618
5-(2-aminophenyl)-N-(3-methoxypropyl)furan-2-carboxamide
CID 91687714
5-(4-amino-2-methylphenyl)-N-(2-methoxyethyl)furan-2-carboxamide
CID 91687732
5-(2-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 120888903
N-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558682
5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroisoquinoline
CID 104559539
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(methoxymethyl)furan-2-carboxamide
CID 120882966
N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558171
5-(2-chlorophenyl)-N-propylfuran-2-carboxamide
CID 5262410
N-(5-hydroxypentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 107317575
N-[2-(2-methoxyethoxy)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78874120

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)furan-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)furan-2-carboxamide (CID 56861779) is N-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)furan-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)furan-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)furan-2-carboxamide is COCCNC(=O)c1ccc(-c2cccc3c2CCNC3)o1.
What is the InChIKey of N-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)furan-2-carboxamide?
The InChIKey is ZCWJIYILEYBNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-21-10-9-19-17(20)16-6-5-15(22-16)14-4-2-3-12-11-18-8-7-13(12)14/h2-6,18H,7-11H2,1H3,(H,19,20).
What are the key properties of N-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)furan-2-carboxamide?
N-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)furan-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)furan-2-carboxamide is sourced from PubChem (CID 56861779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).