N-methyl-N-(2-methylbutyl)-2-[2-(trifluoromethyl)phenoxy]acetamide

C15H20F3NO2 — CID 86934031

IUPACN-methyl-N-(2-methylbutyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
SMILESCCC(C)CN(C)C(=O)COc1ccccc1C(F)(F)F
InChIInChI=1S/C15H20F3NO2/c1-4-11(2)9-19(3)14(20)10-21-13-8-6-5-7-12(13)15(16,17)18/h5-8,11H,4,9-10H2,1-3H3
InChIKeyRRMQVPALHBHBPB-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.59
Rot. Bonds6

About N-methyl-N-(2-methylbutyl)-2-[2-(trifluoromethyl)phenoxy]acetamide

N-methyl-N-(2-methylbutyl)-2-[2-(trifluoromethyl)phenoxy]acetamide (PubChem CID 86934031) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-methyl-N-(2-methylbutyl)-2-[2-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylbutyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
PubChem CID86934031
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC NameN-methyl-N-(2-methylbutyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
SMILESCCC(C)CN(C)C(=O)COc1ccccc1C(F)(F)F
InChIInChI=1S/C15H20F3NO2/c1-4-11(2)9-19(3)14(20)10-21-13-8-6-5-7-12(13)15(16,17)18/h5-8,11H,4,9-10H2,1-3H3
InChIKeyRRMQVPALHBHBPB-UHFFFAOYSA-N
XLogP3.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 43291238
N-methyl-2-(2-methylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 134047158
N-(2-hydroxypropyl)-N-methyl-2-(2-methylphenoxy)acetamide
CID 62333062
1-[2-(trifluoromethyl)phenoxy]pentan-2-one
CID 62041643
(2S,3S)-3-methyl-2-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]pentanoic acid
CID 119193813
2-ethoxy-N-methyl-N-(2-methylbutyl)acetamide
CID 63940982
1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-one
CID 107507935
ethyl 3-[2-(trifluoromethyl)phenoxy]propanoate
CID 43365238
3-amino-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-3-phenylpropanamide
CID 119950359
N-(3,4-difluorophenyl)-N-ethyl-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 55609390
N-(3-amino-4-methylpentyl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 119658198
N-[2,6-di(propan-2-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 39088271

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylbutyl)-2-[2-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-methyl-N-(2-methylbutyl)-2-[2-(trifluoromethyl)phenoxy]acetamide (CID 86934031) is N-methyl-N-(2-methylbutyl)-2-[2-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-methyl-N-(2-methylbutyl)-2-[2-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-methyl-N-(2-methylbutyl)-2-[2-(trifluoromethyl)phenoxy]acetamide is CCC(C)CN(C)C(=O)COc1ccccc1C(F)(F)F.
What is the InChIKey of N-methyl-N-(2-methylbutyl)-2-[2-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is RRMQVPALHBHBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-4-11(2)9-19(3)14(20)10-21-13-8-6-5-7-12(13)15(16,17)18/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of N-methyl-N-(2-methylbutyl)-2-[2-(trifluoromethyl)phenoxy]acetamide?
N-methyl-N-(2-methylbutyl)-2-[2-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 303.32 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylbutyl)-2-[2-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 86934031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).