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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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).