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

C17H20N2O2 — CID 43703397

IUPACN-[1-(5-methylfuran-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)C2Cc3ccccc3CN2)o1
InChIInChI=1S/C17H20N2O2/c1-11-7-8-16(21-11)12(2)19-17(20)15-9-13-5-3-4-6-14(13)10-18-15/h3-8,12,15,18H,9-10H2,1-2H3,(H,19,20)
InChIKeyXTBMGRNCDWQBGV-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.48
Rot. Bonds3

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

N-[1-(5-methylfuran-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 43703397) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[1-(5-methylfuran-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methylfuran-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID43703397
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[1-(5-methylfuran-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)C2Cc3ccccc3CN2)o1
InChIInChI=1S/C17H20N2O2/c1-11-7-8-16(21-11)12(2)19-17(20)15-9-13-5-3-4-6-14(13)10-18-15/h3-8,12,15,18H,9-10H2,1-2H3,(H,19,20)
InChIKeyXTBMGRNCDWQBGV-UHFFFAOYSA-N
XLogP2.48
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43534409
(3R)-N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61154225
(3S)-N-(1-hydroxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896123
(3S)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896578
methyl (2S)-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoate
CID 93268314
methyl (2S)-2-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)propanoate
CID 43709406
(3S)-N-(1,1-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896569
(3S)-N-[(2S)-1-(hydroxyamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 56663413
3-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)butanoic acid
CID 61162351
N-(3-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61464120
3-hydroxy-2-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)butanoic acid
CID 61157694
N-(3-ethylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 63842151

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 43703397) is N-[1-(5-methylfuran-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-[1-(5-methylfuran-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-[1-(5-methylfuran-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is Cc1ccc(C(C)NC(=O)C2Cc3ccccc3CN2)o1.
What is the InChIKey of N-[1-(5-methylfuran-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is XTBMGRNCDWQBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-7-8-16(21-11)12(2)19-17(20)15-9-13-5-3-4-6-14(13)10-18-15/h3-8,12,15,18H,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(5-methylfuran-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-[1-(5-methylfuran-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylfuran-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 43703397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).