(3R)-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C16H24N2O — CID 104874033

IUPAC(3R)-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCCC(CC)CNC(=O)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C16H24N2O/c1-3-12(4-2)10-18-16(19)15-9-13-7-5-6-8-14(13)11-17-15/h5-8,12,15,17H,3-4,9-11H2,1-2H3,(H,18,19)/t15-/m1/s1
InChIKeyUWHMZQLUVXZZLT-OAHLLOKOSA-N
MW260.38 g/mol
LogP2.25
Rot. Bonds5

About (3R)-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

(3R)-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 104874033) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (3R)-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID104874033
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(3R)-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCCC(CC)CNC(=O)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C16H24N2O/c1-3-12(4-2)10-18-16(19)15-9-13-7-5-6-8-14(13)11-17-15/h5-8,12,15,17H,3-4,9-11H2,1-2H3,(H,18,19)/t15-/m1/s1
InChIKeyUWHMZQLUVXZZLT-OAHLLOKOSA-N
XLogP2.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(2-hydroxybutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 113492215
(3S)-N-(2,2-diethoxyethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896691
(3R)-N-(2-methylsulfanylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 113466541
N-(2,2-dimethoxyethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61274907
3-methyl-2-[[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]methyl]butanoic acid
CID 65224076
N-(2-cyclopropyl-2-hydroxyethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 63297112
4-methyl-5-[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]pentanoic acid
CID 82014376
(3R)-N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 125150413
N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24699121
N-(3-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61464120
N-(3-ethylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 63842151
N-[(2S)-2-(ethylamino)-3-oxopentyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;molecular hydrogen
CID 160716846

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3R)-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 104874033) is (3R)-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3R)-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is CCC(CC)CNC(=O)[C@H]1Cc2ccccc2CN1.
What is the InChIKey of (3R)-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is UWHMZQLUVXZZLT-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-12(4-2)10-18-16(19)15-9-13-7-5-6-8-14(13)11-17-15/h5-8,12,15,17H,3-4,9-11H2,1-2H3,(H,18,19)/t15-/m1/s1.
What are the key properties of (3R)-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3R)-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 104874033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).