N-tert-butyl-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)propanamide

C16H24N2O2 — CID 107313908

IUPACN-tert-butyl-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)propanamide
SMILESCC(Oc1ccc2c(c1)NCCC2)C(=O)NC(C)(C)C
InChIInChI=1S/C16H24N2O2/c1-11(15(19)18-16(2,3)4)20-13-8-7-12-6-5-9-17-14(12)10-13/h7-8,10-11,17H,5-6,9H2,1-4H3,(H,18,19)
InChIKeyQZOVKCTVVNINCY-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.73
Rot. Bonds3

About N-tert-butyl-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)propanamide

N-tert-butyl-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)propanamide (PubChem CID 107313908) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-tert-butyl-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)propanamide
PubChem CID107313908
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-tert-butyl-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)propanamide
SMILESCC(Oc1ccc2c(c1)NCCC2)C(=O)NC(C)(C)C
InChIInChI=1S/C16H24N2O2/c1-11(15(19)18-16(2,3)4)20-13-8-7-12-6-5-9-17-14(12)10-13/h7-8,10-11,17H,5-6,9H2,1-4H3,(H,18,19)
InChIKeyQZOVKCTVVNINCY-UHFFFAOYSA-N
XLogP2.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)propanamide
CID 107313910
N-ethyl-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)propanamide
CID 107313991
N-(2-methylpropyl)-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)propanamide
CID 107314025
N-(methylcarbamoyl)-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)propanamide
CID 107314048
N,N-dimethyl-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)propanamide
CID 107313931
N-(2-methylbutan-2-yl)-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)acetamide
CID 107313939
(2S)-N-tert-butyl-2-(4-methoxyphenoxy)propanamide
CID 925163
N-(3-methylbutan-2-yl)-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)acetamide
CID 107313957
N-tert-butyl-2-(4-formylphenoxy)propanamide
CID 43086480
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-tert-butylpropanamide
CID 78933085
4-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]oxybenzamide
CID 8946463
N-tert-butyl-2-[3-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 78933960

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)propanamide?
The IUPAC name of N-tert-butyl-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)propanamide (CID 107313908) is N-tert-butyl-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)propanamide.
What is the SMILES notation for N-tert-butyl-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)propanamide?
The canonical SMILES for N-tert-butyl-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)propanamide is CC(Oc1ccc2c(c1)NCCC2)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)propanamide?
The InChIKey is QZOVKCTVVNINCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(15(19)18-16(2,3)4)20-13-8-7-12-6-5-9-17-14(12)10-13/h7-8,10-11,17H,5-6,9H2,1-4H3,(H,18,19).
What are the key properties of N-tert-butyl-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)propanamide?
N-tert-butyl-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)propanamide is sourced from PubChem (CID 107313908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).