N,N-diethyl-2-isoquinolin-1-yloxypropanamide

C16H20N2O2 — CID 71372885

IUPACN,N-diethyl-2-isoquinolin-1-yloxypropanamide
SMILESCCN(CC)C(=O)C(C)Oc1nccc2ccccc12
InChIInChI=1S/C16H20N2O2/c1-4-18(5-2)16(19)12(3)20-15-14-9-7-6-8-13(14)10-11-17-15/h6-12H,4-5H2,1-3H3
InChIKeyVKXHMPDMYIODCM-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.87
Rot. Bonds5

About N,N-diethyl-2-isoquinolin-1-yloxypropanamide

N,N-diethyl-2-isoquinolin-1-yloxypropanamide (PubChem CID 71372885) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N,N-diethyl-2-isoquinolin-1-yloxypropanamide.

Molecular Properties

Compound NameN,N-diethyl-2-isoquinolin-1-yloxypropanamide
PubChem CID71372885
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN,N-diethyl-2-isoquinolin-1-yloxypropanamide
SMILESCCN(CC)C(=O)C(C)Oc1nccc2ccccc12
InChIInChI=1S/C16H20N2O2/c1-4-18(5-2)16(19)12(3)20-15-14-9-7-6-8-13(14)10-11-17-15/h6-12H,4-5H2,1-3H3
InChIKeyVKXHMPDMYIODCM-UHFFFAOYSA-N
XLogP2.87
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-isoquinolin-1-yloxypropanamide?
The IUPAC name of N,N-diethyl-2-isoquinolin-1-yloxypropanamide (CID 71372885) is N,N-diethyl-2-isoquinolin-1-yloxypropanamide.
What is the SMILES notation for N,N-diethyl-2-isoquinolin-1-yloxypropanamide?
The canonical SMILES for N,N-diethyl-2-isoquinolin-1-yloxypropanamide is CCN(CC)C(=O)C(C)Oc1nccc2ccccc12.
What is the InChIKey of N,N-diethyl-2-isoquinolin-1-yloxypropanamide?
The InChIKey is VKXHMPDMYIODCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-18(5-2)16(19)12(3)20-15-14-9-7-6-8-13(14)10-11-17-15/h6-12H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-2-isoquinolin-1-yloxypropanamide?
N,N-diethyl-2-isoquinolin-1-yloxypropanamide has a molecular weight of 272.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-isoquinolin-1-yloxypropanamide is sourced from PubChem (CID 71372885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).