2-cyclopropyl-N-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]acetamide

C16H20N2O2 — CID 99790272

IUPAC2-cyclopropyl-N-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]acetamide
SMILESO=C(CC1CC1)NCCN1CCc2ccccc2C1=O
InChIInChI=1S/C16H20N2O2/c19-15(11-12-5-6-12)17-8-10-18-9-7-13-3-1-2-4-14(13)16(18)20/h1-4,12H,5-11H2,(H,17,19)
InChIKeyCLEIPELKAKRKRT-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.60
Rot. Bonds5

About 2-cyclopropyl-N-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]acetamide

2-cyclopropyl-N-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]acetamide (PubChem CID 99790272) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]acetamide
PubChem CID99790272
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-cyclopropyl-N-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]acetamide
SMILESO=C(CC1CC1)NCCN1CCc2ccccc2C1=O
InChIInChI=1S/C16H20N2O2/c19-15(11-12-5-6-12)17-8-10-18-9-7-13-3-1-2-4-14(13)16(18)20/h1-4,12H,5-11H2,(H,17,19)
InChIKeyCLEIPELKAKRKRT-UHFFFAOYSA-N
XLogP1.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethyl)-3,4-dihydroisoquinolin-1-one
CID 70927083
1-[1-(2,3-dihydro-1H-inden-1-yl)-2-hydroxyethyl]-3-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]urea
CID 166272312
2-(2-cyclopropylethyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 113422912
N-(cyanomethyl)-2-(1-oxo-3,4-dihydroisoquinolin-2-yl)acetamide
CID 104501238
N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 112502054
2-nonyl-3,4-dihydroisoquinolin-1-one
CID 104501189
2-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethoxy]acetic acid
CID 83084684
2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 115873461
2-(2-piperidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one
CID 115773461
2-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroisoquinolin-1-one
CID 115773441
2-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)acetamide
CID 50875448
2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 107914190

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]acetamide (CID 99790272) is 2-cyclopropyl-N-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]acetamide is O=C(CC1CC1)NCCN1CCc2ccccc2C1=O.
What is the InChIKey of 2-cyclopropyl-N-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]acetamide?
The InChIKey is CLEIPELKAKRKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-15(11-12-5-6-12)17-8-10-18-9-7-13-3-1-2-4-14(13)16(18)20/h1-4,12H,5-11H2,(H,17,19).
What are the key properties of 2-cyclopropyl-N-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]acetamide?
2-cyclopropyl-N-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]acetamide has a molecular weight of 272.35 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]acetamide is sourced from PubChem (CID 99790272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).