N-(2-ethoxyphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide

C20H21F3N2O3 — CID 108969461

IUPACN-(2-ethoxyphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
SMILESCCOc1ccccc1NC(=O)C(C)(C)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H21F3N2O3/c1-4-28-16-11-6-5-10-15(16)25-18(27)19(2,3)17(26)24-14-9-7-8-13(12-14)20(21,22)23/h5-12H,4H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyRUCYJFIMFKRXNO-UHFFFAOYSA-N
MW394.39 g/mol
LogP4.71
Rot. Bonds6

About N-(2-ethoxyphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide

N-(2-ethoxyphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide (PubChem CID 108969461) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
PubChem CID108969461
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC NameN-(2-ethoxyphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
SMILESCCOc1ccccc1NC(=O)C(C)(C)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H21F3N2O3/c1-4-28-16-11-6-5-10-15(16)25-18(27)19(2,3)17(26)24-14-9-7-8-13(12-14)20(21,22)23/h5-12H,4H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyRUCYJFIMFKRXNO-UHFFFAOYSA-N
XLogP4.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(2-ethoxyanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109039807
N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108968157
N-(3-chloro-4-methoxyphenyl)-N'-(2-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969247
N-(2-ethoxyphenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 51049781
N-[3-[(2-ethoxyanilino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 113225288
N-[4-(diethylamino)phenyl]-N'-(2-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969471
3-(2,2-dimethylpropanoylamino)-N-(2-ethoxyphenyl)benzamide
CID 35339665
1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 878376
2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 669889
2,2-dimethyl-N-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108957311
N-[2,5-diethoxy-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 5163768
N-(3-ethoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833710

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide?
The IUPAC name of N-(2-ethoxyphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide (CID 108969461) is N-(2-ethoxyphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide is CCOc1ccccc1NC(=O)C(C)(C)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-ethoxyphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide?
The InChIKey is RUCYJFIMFKRXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c1-4-28-16-11-6-5-10-15(16)25-18(27)19(2,3)17(26)24-14-9-7-8-13(12-14)20(21,22)23/h5-12H,4H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-(2-ethoxyphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide?
N-(2-ethoxyphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide has a molecular weight of 394.39 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide is sourced from PubChem (CID 108969461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).