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

C17H23N3O2 — CID 8896823

IUPACN-(cyclopentylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESO=C(CN1CCc2ccccc2C1)NC(=O)NC1CCCC1
InChIInChI=1S/C17H23N3O2/c21-16(19-17(22)18-15-7-3-4-8-15)12-20-10-9-13-5-1-2-6-14(13)11-20/h1-2,5-6,15H,3-4,7-12H2,(H2,18,19,21,22)
InChIKeyWQFDUNRNPZVIHK-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.81
Rot. Bonds3

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

N-(cyclopentylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide (PubChem CID 8896823) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
PubChem CID8896823
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(cyclopentylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESO=C(CN1CCc2ccccc2C1)NC(=O)NC1CCCC1
InChIInChI=1S/C17H23N3O2/c21-16(19-17(22)18-15-7-3-4-8-15)12-20-10-9-13-5-1-2-6-14(13)11-20/h1-2,5-6,15H,3-4,7-12H2,(H2,18,19,21,22)
InChIKeyWQFDUNRNPZVIHK-UHFFFAOYSA-N
XLogP1.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopentylcarbamoyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8760393
N-(cyclopentylcarbamoyl)-2-(2,3-dihydroindol-1-yl)acetamide
CID 51170796
2-(azepan-1-yl)-N-(cyclopentylcarbamoyl)acetamide
CID 8895713
N-cyclopentyl-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylcarbamoylamino]propanamide
CID 86831325
2-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55381652
N-(cyclopentylcarbamoyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 46802249
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1R,3R)-3-(pyrrolidin-1-ylsulfonylamino)cyclohexyl]acetamide
CID 146038377
N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide
CID 108505977
N-(cyclopropylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8759239
N-(cyclohexylcarbamoyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 30649050
N-(cyclohexylcarbamoyl)-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
CID 8593716
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3,4-dimethylphenyl)carbamoyl]acetamide
CID 9248267

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide (CID 8896823) is N-(cyclopentylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide is O=C(CN1CCc2ccccc2C1)NC(=O)NC1CCCC1.
What is the InChIKey of N-(cyclopentylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The InChIKey is WQFDUNRNPZVIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c21-16(19-17(22)18-15-7-3-4-8-15)12-20-10-9-13-5-1-2-6-14(13)11-20/h1-2,5-6,15H,3-4,7-12H2,(H2,18,19,21,22).
What are the key properties of N-(cyclopentylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
N-(cyclopentylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide has a molecular weight of 301.39 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide is sourced from PubChem (CID 8896823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).