N-(2-ethylhexyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide

C18H28N2O — CID 107815415

IUPACN-(2-ethylhexyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCCCCC(CC)CNC(=O)c1cccc2c1NCCC2
InChIInChI=1S/C18H28N2O/c1-3-5-8-14(4-2)13-20-18(21)16-11-6-9-15-10-7-12-19-17(15)16/h6,9,11,14,19H,3-5,7-8,10,12-13H2,1-2H3,(H,20,21)
InChIKeyPXMLANWRTGNKQP-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.99
Rot. Bonds7

About N-(2-ethylhexyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide

N-(2-ethylhexyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide (PubChem CID 107815415) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(2-ethylhexyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
PubChem CID107815415
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-(2-ethylhexyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCCCCC(CC)CNC(=O)c1cccc2c1NCCC2
InChIInChI=1S/C18H28N2O/c1-3-5-8-14(4-2)13-20-18(21)16-11-6-9-15-10-7-12-19-17(15)16/h6,9,11,14,19H,3-5,7-8,10,12-13H2,1-2H3,(H,20,21)
InChIKeyPXMLANWRTGNKQP-UHFFFAOYSA-N
XLogP3.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The IUPAC name of N-(2-ethylhexyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide (CID 107815415) is N-(2-ethylhexyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for N-(2-ethylhexyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for N-(2-ethylhexyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide is CCCCC(CC)CNC(=O)c1cccc2c1NCCC2.
What is the InChIKey of N-(2-ethylhexyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The InChIKey is PXMLANWRTGNKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-5-8-14(4-2)13-20-18(21)16-11-6-9-15-10-7-12-19-17(15)16/h6,9,11,14,19H,3-5,7-8,10,12-13H2,1-2H3,(H,20,21).
What are the key properties of N-(2-ethylhexyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide?
N-(2-ethylhexyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 107815415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).