N-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide

C17H26N2O2 — CID 62215094

IUPACN-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCC(C)CCOCCNC(=O)c1cccc2c1NCCC2
InChIInChI=1S/C17H26N2O2/c1-13(2)8-11-21-12-10-19-17(20)15-7-3-5-14-6-4-9-18-16(14)15/h3,5,7,13,18H,4,6,8-12H2,1-2H3,(H,19,20)
InChIKeyZWWSRINAUFAATH-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.84
Rot. Bonds7

About N-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide

N-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide (PubChem CID 62215094) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
PubChem CID62215094
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCC(C)CCOCCNC(=O)c1cccc2c1NCCC2
InChIInChI=1S/C17H26N2O2/c1-13(2)8-11-21-12-10-19-17(20)15-7-3-5-14-6-4-9-18-16(14)15/h3,5,7,13,18H,4,6,8-12H2,1-2H3,(H,19,20)
InChIKeyZWWSRINAUFAATH-UHFFFAOYSA-N
XLogP2.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.84
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 N-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The IUPAC name of N-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide (CID 62215094) is N-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for N-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for N-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide is CC(C)CCOCCNC(=O)c1cccc2c1NCCC2.
What is the InChIKey of N-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The InChIKey is ZWWSRINAUFAATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(2)8-11-21-12-10-19-17(20)15-7-3-5-14-6-4-9-18-16(14)15/h3,5,7,13,18H,4,6,8-12H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
N-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 62215094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).