N-ethyl-2-(4-ethyl-2-methyl-4H-1,3-oxazin-6-yl)-4-methyl-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide

C26H30F3N3O3 — CID 146577493

IUPACN-ethyl-2-(4-ethyl-2-methyl-4H-1,3-oxazin-6-yl)-4-methyl-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide
SMILESCCC1C=C(c2cc(C)ccc2C(=O)N(CC)[C@@H](C)COc2ccc(C(F)(F)F)cn2)OC(C)=N1
InChIInChI=1S/C26H30F3N3O3/c1-6-20-13-23(35-18(5)31-20)22-12-16(3)8-10-21(22)25(33)32(7-2)17(4)15-34-24-11-9-19(14-30-24)26(27,28)29/h8-14,17,20H,6-7,15H2,1-5H3/t17-,20?/m0/s1
InChIKeyCBEUVDRXJNSCLE-DIMJTDRSSA-N
MW489.54 g/mol
LogP5.91
Rot. Bonds8

About N-ethyl-2-(4-ethyl-2-methyl-4H-1,3-oxazin-6-yl)-4-methyl-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide

N-ethyl-2-(4-ethyl-2-methyl-4H-1,3-oxazin-6-yl)-4-methyl-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide (PubChem CID 146577493) has the molecular formula C26H30F3N3O3 and a molecular weight of 489.54 g/mol. Its IUPAC name is N-ethyl-2-(4-ethyl-2-methyl-4H-1,3-oxazin-6-yl)-4-methyl-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide.

Molecular Properties

Compound NameN-ethyl-2-(4-ethyl-2-methyl-4H-1,3-oxazin-6-yl)-4-methyl-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide
PubChem CID146577493
Molecular FormulaC26H30F3N3O3
Molecular Weight489.54 g/mol
Exact Mass489.22
IUPAC NameN-ethyl-2-(4-ethyl-2-methyl-4H-1,3-oxazin-6-yl)-4-methyl-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide
SMILESCCC1C=C(c2cc(C)ccc2C(=O)N(CC)[C@@H](C)COc2ccc(C(F)(F)F)cn2)OC(C)=N1
InChIInChI=1S/C26H30F3N3O3/c1-6-20-13-23(35-18(5)31-20)22-12-16(3)8-10-21(22)25(33)32(7-2)17(4)15-34-24-11-9-19(14-30-24)26(27,28)29/h8-14,17,20H,6-7,15H2,1-5H3/t17-,20?/m0/s1
InChIKeyCBEUVDRXJNSCLE-DIMJTDRSSA-N
XLogP5.91
TPSA64.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.54
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide
CID 146577208
N-[1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-2-(4-ethyl-2-methyl-4H-1,3-oxazin-6-yl)-3-methylbenzamide
CID 145383225
N-ethyl-4-fluoro-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide
CID 146577195
N-ethyl-2-(1-methyl-2-oxo-4-pyridinyl)-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide
CID 146577124
2-(5-cyano-3-pyridinyl)-N-ethyl-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide
CID 146576851
N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide
CID 157137244
N-ethyl-5-methyl-2-[methyl-[(Z)-oct-3-en-5-yn-3-yl]amino]-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyridine-3-carboxamide
CID 145383346
4-chloro-N-[(2S)-1-[[5-[difluoro(phosphanyl)methyl]-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide
CID 146577187
methyl N-[1-[2-[[(2S)-1-[[5-(1,1-difluoropropyl)-2-pyridinyl]oxy]propan-2-yl]-ethylcarbamoyl]phenyl]ethenyl]ethanimidate
CID 145383235
N-ethyl-4-fluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]oxypropan-2-yl]benzamide
CID 146589961
N-ethyl-6-methyl-2-(1-methyl-3H-pyrazol-1-ium-3-yl)-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]pyridine-3-carboxamide
CID 161223448
N-ethyl-2-fluoro-3-methyl-6-[methyl-[(Z)-pent-2-ynylideneamino]amino]-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide
CID 145383230

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-ethyl-2-methyl-4H-1,3-oxazin-6-yl)-4-methyl-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide?
The IUPAC name of N-ethyl-2-(4-ethyl-2-methyl-4H-1,3-oxazin-6-yl)-4-methyl-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide (CID 146577493) is N-ethyl-2-(4-ethyl-2-methyl-4H-1,3-oxazin-6-yl)-4-methyl-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide.
What is the SMILES notation for N-ethyl-2-(4-ethyl-2-methyl-4H-1,3-oxazin-6-yl)-4-methyl-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide?
The canonical SMILES for N-ethyl-2-(4-ethyl-2-methyl-4H-1,3-oxazin-6-yl)-4-methyl-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide is CCC1C=C(c2cc(C)ccc2C(=O)N(CC)[C@@H](C)COc2ccc(C(F)(F)F)cn2)OC(C)=N1.
What is the InChIKey of N-ethyl-2-(4-ethyl-2-methyl-4H-1,3-oxazin-6-yl)-4-methyl-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide?
The InChIKey is CBEUVDRXJNSCLE-DIMJTDRSSA-N. The full InChI is InChI=1S/C26H30F3N3O3/c1-6-20-13-23(35-18(5)31-20)22-12-16(3)8-10-21(22)25(33)32(7-2)17(4)15-34-24-11-9-19(14-30-24)26(27,28)29/h8-14,17,20H,6-7,15H2,1-5H3/t17-,20?/m0/s1.
What are the key properties of N-ethyl-2-(4-ethyl-2-methyl-4H-1,3-oxazin-6-yl)-4-methyl-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide?
N-ethyl-2-(4-ethyl-2-methyl-4H-1,3-oxazin-6-yl)-4-methyl-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide has a molecular weight of 489.54 g/mol, XLogP of 5.91, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-ethyl-2-methyl-4H-1,3-oxazin-6-yl)-4-methyl-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide is sourced from PubChem (CID 146577493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).