N-pentan-2-yl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide

C16H24N2O2 — CID 61026655

IUPACN-pentan-2-yl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide
SMILESCCCC(C)NC(=O)COc1cccc2c1NCCC2
InChIInChI=1S/C16H24N2O2/c1-3-6-12(2)18-15(19)11-20-14-9-4-7-13-8-5-10-17-16(13)14/h4,7,9,12,17H,3,5-6,8,10-11H2,1-2H3,(H,18,19)
InChIKeyZESDJYTYSBBDNV-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.73
Rot. Bonds6

About N-pentan-2-yl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide

N-pentan-2-yl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide (PubChem CID 61026655) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-pentan-2-yl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide.

Molecular Properties

Compound NameN-pentan-2-yl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide
PubChem CID61026655
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-pentan-2-yl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide
SMILESCCCC(C)NC(=O)COc1cccc2c1NCCC2
InChIInChI=1S/C16H24N2O2/c1-3-6-12(2)18-15(19)11-20-14-9-4-7-13-8-5-10-17-16(13)14/h4,7,9,12,17H,3,5-6,8,10-11H2,1-2H3,(H,18,19)
InChIKeyZESDJYTYSBBDNV-UHFFFAOYSA-N
XLogP2.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-ethyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propanamide
CID 62324258
2-(2,3-dimethylphenoxy)-N-pentan-2-ylacetamide
CID 50945244
2-(2-methoxyphenoxy)-N-pentan-2-ylacetamide
CID 2957379
N-propan-2-yl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)propanamide
CID 43117555
2-(2-amino-3-hydroxyphenoxy)-N-pentan-2-ylacetamide
CID 114764380
2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-pentan-2-ylacetamide
CID 60623659
N-pentyl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)propanamide
CID 43117557
8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline
CID 16781925
2-(2-acetylphenoxy)-N-pentan-2-ylacetamide
CID 60626000
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylacetamide
CID 78931290
3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-8-yl)oxy]acetyl]amino]-N-propan-2-ylpropanamide
CID 100829038
2-fluoro-6-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid
CID 107014148

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide?
The IUPAC name of N-pentan-2-yl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide (CID 61026655) is N-pentan-2-yl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide.
What is the SMILES notation for N-pentan-2-yl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide?
The canonical SMILES for N-pentan-2-yl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide is CCCC(C)NC(=O)COc1cccc2c1NCCC2.
What is the InChIKey of N-pentan-2-yl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide?
The InChIKey is ZESDJYTYSBBDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-6-12(2)18-15(19)11-20-14-9-4-7-13-8-5-10-17-16(13)14/h4,7,9,12,17H,3,5-6,8,10-11H2,1-2H3,(H,18,19).
What are the key properties of N-pentan-2-yl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide?
N-pentan-2-yl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide has a molecular weight of 276.38 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide is sourced from PubChem (CID 61026655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).