N-butan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide

C15H22N2O — CID 82086263

IUPACN-butan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
SMILESCCC(C)NC(=O)CC1NCCc2ccccc21
InChIInChI=1S/C15H22N2O/c1-3-11(2)17-15(18)10-14-13-7-5-4-6-12(13)8-9-16-14/h4-7,11,14,16H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyJYSDTDBHXHQDGE-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.18
Rot. Bonds4

About N-butan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide

N-butan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide (PubChem CID 82086263) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-butan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
PubChem CID82086263
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-butan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
SMILESCCC(C)NC(=O)CC1NCCc2ccccc21
InChIInChI=1S/C15H22N2O/c1-3-11(2)17-15(18)10-14-13-7-5-4-6-12(13)8-9-16-14/h4-7,11,14,16H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyJYSDTDBHXHQDGE-UHFFFAOYSA-N
XLogP2.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid
CID 2733683
N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CID 112509751
N-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CID 112509722
N-(2-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CID 5100540
N-butan-2-yl-2-(2,3-dihydro-1H-inden-1-ylamino)acetamide
CID 43424190
(1S)-1-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 40527795
1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
CID 82089589
N-[(2R)-1-[4-[(1-acetylpiperidin-4-yl)-(2-methylpropyl)amino]piperidin-1-yl]-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetamide
CID 46221512
1-(2,3-dihydroindol-1-yl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
CID 112509706
1,2,3,4-tetrahydroisoquinolin-1-ylmethanol
CID 51358587
N-(pyridin-3-ylmethyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CID 112509693
N-[(2R)-3-(4-chlorophenyl)-1-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]-1-oxopropan-2-yl]-2-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetamide
CID 68562235

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide (CID 82086263) is N-butan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide is CCC(C)NC(=O)CC1NCCc2ccccc21.
What is the InChIKey of N-butan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide?
The InChIKey is JYSDTDBHXHQDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-11(2)17-15(18)10-14-13-7-5-4-6-12(13)8-9-16-14/h4-7,11,14,16H,3,8-10H2,1-2H3,(H,17,18).
What are the key properties of N-butan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide?
N-butan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide has a molecular weight of 246.35 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide is sourced from PubChem (CID 82086263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).