N-[(2S)-butan-2-yl]-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide

C17H22N2O3 — CID 40711295

IUPACN-[(2S)-butan-2-yl]-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide
SMILESCC[C@H](C)NC(=O)COc1cc(C)nc2ccc(OC)cc12
InChIInChI=1S/C17H22N2O3/c1-5-11(2)19-17(20)10-22-16-8-12(3)18-15-7-6-13(21-4)9-14(15)16/h6-9,11H,5,10H2,1-4H3,(H,19,20)/t11-/m0/s1
InChIKeyJZCKYDWXTPAVQJ-NSHDSACASA-N
MW302.37 g/mol
LogP2.85
Rot. Bonds6

About N-[(2S)-butan-2-yl]-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide

N-[(2S)-butan-2-yl]-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide (PubChem CID 40711295) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide
PubChem CID40711295
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-[(2S)-butan-2-yl]-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide
SMILESCC[C@H](C)NC(=O)COc1cc(C)nc2ccc(OC)cc12
InChIInChI=1S/C17H22N2O3/c1-5-11(2)19-17(20)10-22-16-8-12(3)18-15-7-6-13(21-4)9-14(15)16/h6-9,11H,5,10H2,1-4H3,(H,19,20)/t11-/m0/s1
InChIKeyJZCKYDWXTPAVQJ-NSHDSACASA-N
XLogP2.85
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 112787491
2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 112787517
N,N-diethyl-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide
CID 112787506
2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-phenylethanone
CID 162664426
N-[(2R)-butan-2-yl]-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 8633812
2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-(4-methylphenyl)ethanone
CID 162667689
2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-(2-methoxyphenyl)ethanone
CID 162677128
methyl 2-(6-methoxy-2-methylquinolin-4-yl)oxypropanoate
CID 53269444
N-butan-2-yl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 78487834
1-(3-chlorophenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyethanone
CID 162672729
N-butan-2-yl-2-(3,5-dimethoxyphenoxy)acetamide
CID 78530824
2-[6-[2-[4-[[2-(6-methoxy-2-methylquinolin-4-yl)oxyacetyl]amino]-2-methylphenyl]ethoxy]-2-methylquinolin-4-yl]oxy-N-(4-methylphenyl)acetamide
CID 145208170

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide (CID 40711295) is N-[(2S)-butan-2-yl]-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide is CC[C@H](C)NC(=O)COc1cc(C)nc2ccc(OC)cc12.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide?
The InChIKey is JZCKYDWXTPAVQJ-NSHDSACASA-N. The full InChI is InChI=1S/C17H22N2O3/c1-5-11(2)19-17(20)10-22-16-8-12(3)18-15-7-6-13(21-4)9-14(15)16/h6-9,11H,5,10H2,1-4H3,(H,19,20)/t11-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide?
N-[(2S)-butan-2-yl]-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide has a molecular weight of 302.37 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide is sourced from PubChem (CID 40711295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).