4-methoxy-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]butanamide

C16H24N2O2 — CID 81423200

IUPAC4-methoxy-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]butanamide
SMILESCOCCCC(=O)NCCc1cccc2c1NCCC2
InChIInChI=1S/C16H24N2O2/c1-20-12-4-8-15(19)17-11-9-14-6-2-5-13-7-3-10-18-16(13)14/h2,5-6,18H,3-4,7-12H2,1H3,(H,17,19)
InChIKeyCEOUBUJMCWOQFN-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.13
Rot. Bonds7

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

4-methoxy-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]butanamide (PubChem CID 81423200) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-methoxy-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]butanamide
PubChem CID81423200
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-methoxy-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]butanamide
SMILESCOCCCC(=O)NCCc1cccc2c1NCCC2
InChIInChI=1S/C16H24N2O2/c1-20-12-4-8-15(19)17-11-9-14-6-2-5-13-7-3-10-18-16(13)14/h2,5-6,18H,3-4,7-12H2,1H3,(H,17,19)
InChIKeyCEOUBUJMCWOQFN-UHFFFAOYSA-N
XLogP2.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]butanamide?
The IUPAC name of 4-methoxy-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]butanamide (CID 81423200) is 4-methoxy-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]butanamide.
What is the SMILES notation for 4-methoxy-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]butanamide?
The canonical SMILES for 4-methoxy-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]butanamide is COCCCC(=O)NCCc1cccc2c1NCCC2.
What is the InChIKey of 4-methoxy-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]butanamide?
The InChIKey is CEOUBUJMCWOQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-20-12-4-8-15(19)17-11-9-14-6-2-5-13-7-3-10-18-16(13)14/h2,5-6,18H,3-4,7-12H2,1H3,(H,17,19).
What are the key properties of 4-methoxy-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]butanamide?
4-methoxy-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]butanamide has a molecular weight of 276.38 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]butanamide is sourced from PubChem (CID 81423200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).