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

C16H22N2O — CID 63901315

IUPAC2-cyclopentyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide
SMILESO=C(CC1CCCC1)Nc1ccc2c(c1)CNCC2
InChIInChI=1S/C16H22N2O/c19-16(9-12-3-1-2-4-12)18-15-6-5-13-7-8-17-11-14(13)10-15/h5-6,10,12,17H,1-4,7-9,11H2,(H,18,19)
InChIKeyHCKWVRVTJGFKHF-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.85
Rot. Bonds3

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

2-cyclopentyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide (PubChem CID 63901315) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-cyclopentyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide
PubChem CID63901315
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-cyclopentyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide
SMILESO=C(CC1CCCC1)Nc1ccc2c(c1)CNCC2
InChIInChI=1S/C16H22N2O/c19-16(9-12-3-1-2-4-12)18-15-6-5-13-7-8-17-11-14(13)10-15/h5-6,10,12,17H,1-4,7-9,11H2,(H,18,19)
InChIKeyHCKWVRVTJGFKHF-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,1-dioxothiolan-3-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide
CID 63901139
2-cyclobutyl-N-(2,3-dihydro-1H-indol-5-yl)acetamide;hydrochloride
CID 119473771
2-cyclohexyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide
CID 63931236
1-(cyclohexylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea
CID 66936252
3-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide;hydrochloride
CID 119581050
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 119581157
2-cyclopentyl-N-pyridin-4-ylacetamide
CID 11839759
2-cyclopentyl-N-(4-iodophenyl)acetamide
CID 2677478
N-(2,3-dihydro-1H-inden-5-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114626426
1-(4-fluorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea
CID 63901955
2-cyclohexyl-N-(4-iodophenyl)acetamide
CID 807079
(2S)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolidine-2-carboxamide
CID 103806993

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide?
The IUPAC name of 2-cyclopentyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide (CID 63901315) is 2-cyclopentyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide.
What is the SMILES notation for 2-cyclopentyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide?
The canonical SMILES for 2-cyclopentyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide is O=C(CC1CCCC1)Nc1ccc2c(c1)CNCC2.
What is the InChIKey of 2-cyclopentyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide?
The InChIKey is HCKWVRVTJGFKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-16(9-12-3-1-2-4-12)18-15-6-5-13-7-8-17-11-14(13)10-15/h5-6,10,12,17H,1-4,7-9,11H2,(H,18,19).
What are the key properties of 2-cyclopentyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide?
2-cyclopentyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide has a molecular weight of 258.36 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide is sourced from PubChem (CID 63901315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).