N-(2,2-dimethylpropyl)-2-(3-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide

C16H22F3NO2 — CID 56531141

IUPACN-(2,2-dimethylpropyl)-2-(3-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cccc(OCC(=O)N(CC(C)(C)C)CC(F)(F)F)c1
InChIInChI=1S/C16H22F3NO2/c1-12-6-5-7-13(8-12)22-9-14(21)20(10-15(2,3)4)11-16(17,18)19/h5-8H,9-11H2,1-4H3
InChIKeyLTGJUHGNIALXFX-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.81
Rot. Bonds5

About N-(2,2-dimethylpropyl)-2-(3-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide

N-(2,2-dimethylpropyl)-2-(3-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 56531141) has the molecular formula C16H22F3NO2 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-(3-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-(3-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID56531141
Molecular FormulaC16H22F3NO2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC NameN-(2,2-dimethylpropyl)-2-(3-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cccc(OCC(=O)N(CC(C)(C)C)CC(F)(F)F)c1
InChIInChI=1S/C16H22F3NO2/c1-12-6-5-7-13(8-12)22-9-14(21)20(10-15(2,3)4)11-16(17,18)19/h5-8H,9-11H2,1-4H3
InChIKeyLTGJUHGNIALXFX-UHFFFAOYSA-N
XLogP3.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(3-methylphenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265254
N-(2-hydroxyethyl)-3-(3-methylphenoxy)-N-(2,2,2-trifluoroethyl)propanamide
CID 103915390
N,N-bis(2-methoxyethyl)-2-(3-methylphenoxy)acetamide
CID 78762157
2-[tert-butyl-[2-(3-methylphenoxy)acetyl]amino]acetic acid
CID 79266699
2-(3-methylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 892170
2-[[2-(3-chlorophenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265064
3-[ethyl-[2-(3-methylphenoxy)acetyl]amino]propanoic acid
CID 54899163
N-(2-bromoethyl)-2-(3-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 107492685
2-(3-aminophenoxy)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 61104642
2-[ethyl-[2-(3-methylphenoxy)acetyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9095232
4-[methyl-[2-(3-methylphenoxy)acetyl]amino]butanoic acid
CID 43240315
ethyl 2-[methyl-[2-(3-methylphenoxy)acetyl]amino]acetate
CID 54785206

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-(3-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2-(3-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide (CID 56531141) is N-(2,2-dimethylpropyl)-2-(3-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-(3-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-(3-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide is Cc1cccc(OCC(=O)N(CC(C)(C)C)CC(F)(F)F)c1.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-(3-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is LTGJUHGNIALXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO2/c1-12-6-5-7-13(8-12)22-9-14(21)20(10-15(2,3)4)11-16(17,18)19/h5-8H,9-11H2,1-4H3.
What are the key properties of N-(2,2-dimethylpropyl)-2-(3-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
N-(2,2-dimethylpropyl)-2-(3-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 317.35 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-(3-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 56531141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).