N-[2-(diethylamino)ethyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide

C17H27N3O2 — CID 90640769

IUPACN-[2-(diethylamino)ethyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
SMILESCCN(CC)CCNC(=O)COc1ccnc2c1CCCC2
InChIInChI=1S/C17H27N3O2/c1-3-20(4-2)12-11-19-17(21)13-22-16-9-10-18-15-8-6-5-7-14(15)16/h9-10H,3-8,11-13H2,1-2H3,(H,19,21)
InChIKeyIOTDSHCUTYIPRG-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.80
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide

N-[2-(diethylamino)ethyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide (PubChem CID 90640769) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
PubChem CID90640769
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[2-(diethylamino)ethyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
SMILESCCN(CC)CCNC(=O)COc1ccnc2c1CCCC2
InChIInChI=1S/C17H27N3O2/c1-3-20(4-2)12-11-19-17(21)13-22-16-9-10-18-15-8-6-5-7-14(15)16/h9-10H,3-8,11-13H2,1-2H3,(H,19,21)
InChIKeyIOTDSHCUTYIPRG-UHFFFAOYSA-N
XLogP1.80
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide (CID 90640769) is N-[2-(diethylamino)ethyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide is CCN(CC)CCNC(=O)COc1ccnc2c1CCCC2.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The InChIKey is IOTDSHCUTYIPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-3-20(4-2)12-11-19-17(21)13-22-16-9-10-18-15-8-6-5-7-14(15)16/h9-10H,3-8,11-13H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(diethylamino)ethyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
N-[2-(diethylamino)ethyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide has a molecular weight of 305.42 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide is sourced from PubChem (CID 90640769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).