N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]oxane-3-carboxamide

C17H24N2O2 — CID 81424224

IUPACN-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]oxane-3-carboxamide
SMILESO=C(NCCc1cccc2c1NCCC2)C1CCCOC1
InChIInChI=1S/C17H24N2O2/c20-17(15-7-3-11-21-12-15)19-10-8-14-5-1-4-13-6-2-9-18-16(13)14/h1,4-5,15,18H,2-3,6-12H2,(H,19,20)
InChIKeyVXLXIPARUZMKDA-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.13
Rot. Bonds4

About N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]oxane-3-carboxamide

N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]oxane-3-carboxamide (PubChem CID 81424224) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]oxane-3-carboxamide
PubChem CID81424224
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]oxane-3-carboxamide
SMILESO=C(NCCc1cccc2c1NCCC2)C1CCCOC1
InChIInChI=1S/C17H24N2O2/c20-17(15-7-3-11-21-12-15)19-10-8-14-5-1-4-13-6-2-9-18-16(13)14/h1,4-5,15,18H,2-3,6-12H2,(H,19,20)
InChIKeyVXLXIPARUZMKDA-UHFFFAOYSA-N
XLogP2.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]oxane-3-carboxamide?
The IUPAC name of N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]oxane-3-carboxamide (CID 81424224) is N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]oxane-3-carboxamide.
What is the SMILES notation for N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]oxane-3-carboxamide?
The canonical SMILES for N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]oxane-3-carboxamide is O=C(NCCc1cccc2c1NCCC2)C1CCCOC1.
What is the InChIKey of N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]oxane-3-carboxamide?
The InChIKey is VXLXIPARUZMKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-17(15-7-3-11-21-12-15)19-10-8-14-5-1-4-13-6-2-9-18-16(13)14/h1,4-5,15,18H,2-3,6-12H2,(H,19,20).
What are the key properties of N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]oxane-3-carboxamide?
N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]oxane-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]oxane-3-carboxamide is sourced from PubChem (CID 81424224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).