(3S)-N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C16H24N2O — CID 104896545

IUPAC(3S)-N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCCC(C)(C)N(C)C(=O)[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C16H24N2O/c1-5-16(2,3)18(4)15(19)14-10-12-8-6-7-9-13(12)11-17-14/h6-9,14,17H,5,10-11H2,1-4H3/t14-/m0/s1
InChIKeyHMUFAFDGEQKIJU-AWEZNQCLSA-N
MW260.38 g/mol
LogP2.35
Rot. Bonds3

About (3S)-N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

(3S)-N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 104896545) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (3S)-N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID104896545
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(3S)-N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCCC(C)(C)N(C)C(=O)[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C16H24N2O/c1-5-16(2,3)18(4)15(19)14-10-12-8-6-7-9-13(12)11-17-14/h6-9,14,17H,5,10-11H2,1-4H3/t14-/m0/s1
InChIKeyHMUFAFDGEQKIJU-AWEZNQCLSA-N
XLogP2.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-methyl-N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896108
N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43265856
(3S)-N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896257
N-benzyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24711803
N-[2-(dimethylamino)-2-methylpropyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61250382
(3S)-N-propan-2-yl-N-propyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896103
(3R)-N-(1-cyanopropan-2-yl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 63224845
N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 65038594
N-cyclohexyl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24692970
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43579071
methyl 2-methyl-3-[methyl(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)amino]propanoate
CID 60963908
(3S)-N-methyl-N-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896435

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3S)-N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 104896545) is (3S)-N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3S)-N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3S)-N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is CCC(C)(C)N(C)C(=O)[C@@H]1Cc2ccccc2CN1.
What is the InChIKey of (3S)-N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is HMUFAFDGEQKIJU-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2O/c1-5-16(2,3)18(4)15(19)14-10-12-8-6-7-9-13(12)11-17-14/h6-9,14,17H,5,10-11H2,1-4H3/t14-/m0/s1.
What are the key properties of (3S)-N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3S)-N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 104896545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).