N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C17H26N2O — CID 65038594

IUPACN-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCCC(CC)(CC)NC(=O)C1Cc2ccccc2CN1
InChIInChI=1S/C17H26N2O/c1-4-17(5-2,6-3)19-16(20)15-11-13-9-7-8-10-14(13)12-18-15/h7-10,15,18H,4-6,11-12H2,1-3H3,(H,19,20)
InChIKeyGFRNGAXFEXESHR-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.79
Rot. Bonds5

About N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 65038594) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID65038594
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCCC(CC)(CC)NC(=O)C1Cc2ccccc2CN1
InChIInChI=1S/C17H26N2O/c1-4-17(5-2,6-3)19-16(20)15-11-13-9-7-8-10-14(13)12-18-15/h7-10,15,18H,4-6,11-12H2,1-3H3,(H,19,20)
InChIKeyGFRNGAXFEXESHR-UHFFFAOYSA-N
XLogP2.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-[3-(hydroxymethyl)pentan-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 62520509
(3S)-N-butyliodanuidyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 163941327
methyl 2-methyl-2-[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoate
CID 61178603
N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24699121
N-(3-ethylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 63842151
N-propylsulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103307530
(3R)-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104874033
N-(3-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61464120
(3R)-N',N'-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide
CID 83021398
(3S)-N-methylsulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103287323
(3S)-N-(1-hydroxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896123
(3R)-N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61154225

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 65038594) is N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is CCC(CC)(CC)NC(=O)C1Cc2ccccc2CN1.
What is the InChIKey of N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is GFRNGAXFEXESHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-17(5-2,6-3)19-16(20)15-11-13-9-7-8-10-14(13)12-18-15/h7-10,15,18H,4-6,11-12H2,1-3H3,(H,19,20).
What are the key properties of N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 65038594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).