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

C17H26N2O — CID 65041181

IUPACN-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCCC(CC)(CC)NC(=O)c1cccc2c1NCCC2
InChIInChI=1S/C17H26N2O/c1-4-17(5-2,6-3)19-16(20)14-11-7-9-13-10-8-12-18-15(13)14/h7,9,11,18H,4-6,8,10,12H2,1-3H3,(H,19,20)
InChIKeyCYSZAQVXCWKJEA-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.74
Rot. Bonds5

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

N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide (PubChem CID 65041181) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound NameN-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
PubChem CID65041181
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCCC(CC)(CC)NC(=O)c1cccc2c1NCCC2
InChIInChI=1S/C17H26N2O/c1-4-17(5-2,6-3)19-16(20)14-11-7-9-13-10-8-12-18-15(13)14/h7,9,11,18H,4-6,8,10,12H2,1-3H3,(H,19,20)
InChIKeyCYSZAQVXCWKJEA-UHFFFAOYSA-N
XLogP3.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The IUPAC name of N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide (CID 65041181) is N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide is CCC(CC)(CC)NC(=O)c1cccc2c1NCCC2.
What is the InChIKey of N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The InChIKey is CYSZAQVXCWKJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-17(5-2,6-3)19-16(20)14-11-7-9-13-10-8-12-18-15(13)14/h7,9,11,18H,4-6,8,10,12H2,1-3H3,(H,19,20).
What are the key properties of N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide?
N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 65041181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).