2-[cyclopentyl-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]acetamide

C18H25N3O2 — CID 56813195

IUPAC2-[cyclopentyl-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]acetamide
SMILESNC(=O)CN(CC(=O)N1CCc2ccccc2C1)C1CCCC1
InChIInChI=1S/C18H25N3O2/c19-17(22)12-21(16-7-3-4-8-16)13-18(23)20-10-9-14-5-1-2-6-15(14)11-20/h1-2,5-6,16H,3-4,7-13H2,(H2,19,22)
InChIKeyGEGHVZSXRMXSQE-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.30
Rot. Bonds5

About 2-[cyclopentyl-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]acetamide

2-[cyclopentyl-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]acetamide (PubChem CID 56813195) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[cyclopentyl-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound Name2-[cyclopentyl-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]acetamide
PubChem CID56813195
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-[cyclopentyl-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]acetamide
SMILESNC(=O)CN(CC(=O)N1CCc2ccccc2C1)C1CCCC1
InChIInChI=1S/C18H25N3O2/c19-17(22)12-21(16-7-3-4-8-16)13-18(23)20-10-9-14-5-1-2-6-15(14)11-20/h1-2,5-6,16H,3-4,7-13H2,(H2,19,22)
InChIKeyGEGHVZSXRMXSQE-UHFFFAOYSA-N
XLogP1.30
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)ethanone
CID 4016207
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 27082850
1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butane-1,4-dione
CID 170265341
dicyclohexyl-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]azanium
CID 2105503
2-[cyclopentyl-[2-[2-(2,3-dihydroindol-1-yl)ethylamino]-2-oxoethyl]amino]acetamide
CID 56815711
2-[3-aminopropyl(methyl)amino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 81493173
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone
CID 16769566
cyclohexanamine;4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanoic acid
CID 66525483
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] benzoate
CID 2365522
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-methylmethanesulfonamide
CID 30464642
2-(4-aminopiperidin-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 43556488
3-(cycloheptylamino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 109024411

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]acetamide?
The IUPAC name of 2-[cyclopentyl-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]acetamide (CID 56813195) is 2-[cyclopentyl-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for 2-[cyclopentyl-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]acetamide?
The canonical SMILES for 2-[cyclopentyl-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]acetamide is NC(=O)CN(CC(=O)N1CCc2ccccc2C1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]acetamide?
The InChIKey is GEGHVZSXRMXSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c19-17(22)12-21(16-7-3-4-8-16)13-18(23)20-10-9-14-5-1-2-6-15(14)11-20/h1-2,5-6,16H,3-4,7-13H2,(H2,19,22).
What are the key properties of 2-[cyclopentyl-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]acetamide?
2-[cyclopentyl-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]acetamide has a molecular weight of 315.42 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 56813195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).