N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide

C13H18N2O — CID 115104802

IUPACN-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide
SMILESCCNC(=O)Cc1ccc2c(c1)CNCC2
InChIInChI=1S/C13H18N2O/c1-2-15-13(16)8-10-3-4-11-5-6-14-9-12(11)7-10/h3-4,7,14H,2,5-6,8-9H2,1H3,(H,15,16)
InChIKeyXTQCBZVZWBITAA-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.01
Rot. Bonds3

About N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide

N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide (PubChem CID 115104802) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide
PubChem CID115104802
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide
SMILESCCNC(=O)Cc1ccc2c(c1)CNCC2
InChIInChI=1S/C13H18N2O/c1-2-15-13(16)8-10-3-4-11-5-6-14-9-12(11)7-10/h3-4,7,14H,2,5-6,8-9H2,1H3,(H,15,16)
InChIKeyXTQCBZVZWBITAA-UHFFFAOYSA-N
XLogP1.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
CID 115104820
N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine
CID 83963309
2-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1-(2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone
CID 146530446
N-[2-(ethylamino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide;hydrochloride
CID 119508424
2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
CID 120650056
7-(propan-2-ylsulfonylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104140
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(3-fluorophenyl)acetamide
CID 105062315
8-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride
CID 75366017
N-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 82171878
3-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide
CID 119581012
N-(2-hydroxy-2-methylpentyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 106292129
2-(2,3-dihydro-1H-inden-5-yl)-N-prop-2-enylacetamide
CID 60645760

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide?
The IUPAC name of N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide (CID 115104802) is N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide?
The canonical SMILES for N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide is CCNC(=O)Cc1ccc2c(c1)CNCC2.
What is the InChIKey of N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide?
The InChIKey is XTQCBZVZWBITAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-15-13(16)8-10-3-4-11-5-6-14-9-12(11)7-10/h3-4,7,14H,2,5-6,8-9H2,1H3,(H,15,16).
What are the key properties of N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide?
N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide has a molecular weight of 218.30 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide is sourced from PubChem (CID 115104802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).