N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide

C16H22N2O — CID 2123034

IUPACN-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESO=C(CN1CCc2ccccc2C1)NC1CCCC1
InChIInChI=1S/C16H22N2O/c19-16(17-15-7-3-4-8-15)12-18-10-9-13-5-1-2-6-14(13)11-18/h1-2,5-6,15H,3-4,7-12H2,(H,17,19)
InChIKeyAQGYYNJTQZNQML-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.10
Rot. Bonds3

About N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide

N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide (PubChem CID 2123034) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
PubChem CID2123034
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESO=C(CN1CCc2ccccc2C1)NC1CCCC1
InChIInChI=1S/C16H22N2O/c19-16(17-15-7-3-4-8-15)12-18-10-9-13-5-1-2-6-14(13)11-18/h1-2,5-6,15H,3-4,7-12H2,(H,17,19)
InChIKeyAQGYYNJTQZNQML-UHFFFAOYSA-N
XLogP2.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

((E)-N-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)butyl)-3-phenylacrylamide
CID 10065496
(S)-2-[(R)-3-amino-4-(2-fluorophenyl)butyryl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 5494385
(S)-N-tert-butyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide
CID 688344
(2S)-1-(2-{[2-methyl-4-oxo-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)butan-2-yl]amino}acetyl)pyrrolidine-2-carbonitrile
CID 11581458
(2S)-1-(2-{[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]amino}acetyl)pyrrolidine-2-carbonitrile
CID 11717090
(2S)-1-[(2S)-2-amino-4-oxo-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)butanoyl]pyrrolidine-2-carbonitrile
CID 23646025
Metalkonium Chloride
CID 7535
Acetamide, N-(alpha-cyclohexylbenzyl)-2-(diethylamino)-
CID 209457
N-(1,2,3,5,6,7-Hexahydro-s-indacen-1-yl)-1-piperidineacetamide hydrochloride
CID 3058667
1-Piperidineacetamide, N-(diphenylmethyl)-
CID 216494
1-Pyrrolidineacetamide, N-(diphenylmethyl)-
CID 216501
1-Piperidineacetamide, 4-methyl-N-(phenylmethyl)-
CID 972703

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide (CID 2123034) is N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide is O=C(CN1CCc2ccccc2C1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The InChIKey is AQGYYNJTQZNQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-16(17-15-7-3-4-8-15)12-18-10-9-13-5-1-2-6-14(13)11-18/h1-2,5-6,15H,3-4,7-12H2,(H,17,19).
What are the key properties of N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide has a molecular weight of 258.36 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide is sourced from PubChem (CID 2123034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).