(3R)-N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C17H26N2O — CID 61154225

IUPAC(3R)-N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCC(C)CCC(C)NC(=O)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C17H26N2O/c1-12(2)8-9-13(3)19-17(20)16-10-14-6-4-5-7-15(14)11-18-16/h4-7,12-13,16,18H,8-11H2,1-3H3,(H,19,20)/t13?,16-/m1/s1
InChIKeyTYHASZIKCAJSQP-FQNRMIAFSA-N
MW274.41 g/mol
LogP2.64
Rot. Bonds5

About (3R)-N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

(3R)-N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 61154225) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (3R)-N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID61154225
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(3R)-N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCC(C)CCC(C)NC(=O)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C17H26N2O/c1-12(2)8-9-13(3)19-17(20)16-10-14-6-4-5-7-15(14)11-18-16/h4-7,12-13,16,18H,8-11H2,1-3H3,(H,19,20)/t13?,16-/m1/s1
InChIKeyTYHASZIKCAJSQP-FQNRMIAFSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide with MolForge

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Related Compounds

(3S)-N-(1-hydroxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896123
N-[1-(dimethylamino)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 82945792
3-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)butanoic acid
CID 61162351
N-octan-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43711414
N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24693482
(3S)-N-(1-methylsulfinylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896892
(3S)-N-(1-ethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896414
(3R)-N-(4-methylpentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61158740
N-(3-ethylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 63842151
N-(3-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61464120
(2S)-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]pentanoic acid
CID 103869739
N-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119330940

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3R)-N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 61154225) is (3R)-N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3R)-N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is CC(C)CCC(C)NC(=O)[C@H]1Cc2ccccc2CN1.
What is the InChIKey of (3R)-N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is TYHASZIKCAJSQP-FQNRMIAFSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(2)8-9-13(3)19-17(20)16-10-14-6-4-5-7-15(14)11-18-16/h4-7,12-13,16,18H,8-11H2,1-3H3,(H,19,20)/t13?,16-/m1/s1.
What are the key properties of (3R)-N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3R)-N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 61154225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).