N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)octanamide

C18H28N2O — CID 62952574

IUPACN-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)octanamide
SMILESCCCCCCCC(=O)Nc1cccc2c1NC(C)CC2
InChIInChI=1S/C18H28N2O/c1-3-4-5-6-7-11-17(21)20-16-10-8-9-15-13-12-14(2)19-18(15)16/h8-10,14,19H,3-7,11-13H2,1-2H3,(H,20,21)
InChIKeyWXBSHTJODJGTHY-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.73
Rot. Bonds7

About N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)octanamide

N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)octanamide (PubChem CID 62952574) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)octanamide.

Molecular Properties

Compound NameN-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)octanamide
PubChem CID62952574
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)octanamide
SMILESCCCCCCCC(=O)Nc1cccc2c1NC(C)CC2
InChIInChI=1S/C18H28N2O/c1-3-4-5-6-7-11-17(21)20-16-10-8-9-15-13-12-14(2)19-18(15)16/h8-10,14,19H,3-7,11-13H2,1-2H3,(H,20,21)
InChIKeyWXBSHTJODJGTHY-UHFFFAOYSA-N
XLogP4.73
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 ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 588517
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N-(2,3-dimethylphenyl)dodecanamide
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2-hydroxy-3-(nonanoylamino)benzoic acid
CID 104832987
2,3-bis(tetradecanoylamino)benzoic acid
CID 154111832
N-(2-ethylphenyl)undecanamide
CID 5078439
N-(2-ethylphenyl)heptanamide
CID 4582103
N-(1,2,3,4-tetrahydroquinolin-5-yl)nonanamide
CID 65447430
N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 652088
N-cyclohexyl-2-(dodecanoylamino)benzamide
CID 25137451
N-(2-chlorophenyl)octanamide
CID 2292983

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)octanamide?
The IUPAC name of N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)octanamide (CID 62952574) is N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)octanamide.
What is the SMILES notation for N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)octanamide?
The canonical SMILES for N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)octanamide is CCCCCCCC(=O)Nc1cccc2c1NC(C)CC2.
What is the InChIKey of N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)octanamide?
The InChIKey is WXBSHTJODJGTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-4-5-6-7-11-17(21)20-16-10-8-9-15-13-12-14(2)19-18(15)16/h8-10,14,19H,3-7,11-13H2,1-2H3,(H,20,21).
What are the key properties of N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)octanamide?
N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)octanamide has a molecular weight of 288.44 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)octanamide is sourced from PubChem (CID 62952574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).