N-[1-(furan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

C16H18N2O2 — CID 104558050

IUPACN-[1-(furan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCC(NC(=O)c1cccc2c1CCNC2)c1ccco1
InChIInChI=1S/C16H18N2O2/c1-11(15-6-3-9-20-15)18-16(19)14-5-2-4-12-10-17-8-7-13(12)14/h2-6,9,11,17H,7-8,10H2,1H3,(H,18,19)
InChIKeyARMSNPYNYQHHJZ-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.42
Rot. Bonds3

About N-[1-(furan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

N-[1-(furan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (PubChem CID 104558050) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
PubChem CID104558050
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[1-(furan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCC(NC(=O)c1cccc2c1CCNC2)c1ccco1
InChIInChI=1S/C16H18N2O2/c1-11(15-6-3-9-20-15)18-16(19)14-5-2-4-12-10-17-8-7-13(12)14/h2-6,9,11,17H,7-8,10H2,1H3,(H,18,19)
InChIKeyARMSNPYNYQHHJZ-UHFFFAOYSA-N
XLogP2.42
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(furan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-5-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

N-[(1S)-1-(furan-2-yl)ethyl]-2-(methylamino)benzamide
CID 81399463
2-chloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 18116836
N-[1-(furan-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 18116946
N-[1-(furan-2-yl)ethyl]-1H-indole-4-carboxamide
CID 43581973
N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558061
2-(ethylamino)-N-[1-(furan-2-yl)ethyl]benzamide
CID 62169362
N-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557960
N-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557961
N-[1-(furan-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 18110366
N-[(3-methyloxetan-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558787
3-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]benzoic acid
CID 51704043
2-amino-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 62073819

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (CID 104558050) is N-[1-(furan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is CC(NC(=O)c1cccc2c1CCNC2)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The InChIKey is ARMSNPYNYQHHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11(15-6-3-9-20-15)18-16(19)14-5-2-4-12-10-17-8-7-13(12)14/h2-6,9,11,17H,7-8,10H2,1H3,(H,18,19).
What are the key properties of N-[1-(furan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
N-[1-(furan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is sourced from PubChem (CID 104558050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).