2-[2-ethoxy-5-(trifluoromethyl)anilino]-N,N-bis(prop-2-enyl)acetamide

C17H21F3N2O2 — CID 60587911

IUPAC2-[2-ethoxy-5-(trifluoromethyl)anilino]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CNc1cc(C(F)(F)F)ccc1OCC
InChIInChI=1S/C17H21F3N2O2/c1-4-9-22(10-5-2)16(23)12-21-14-11-13(17(18,19)20)7-8-15(14)24-6-3/h4-5,7-8,11,21H,1-2,6,9-10,12H2,3H3
InChIKeyDPMZDHJGMNUSOW-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.72
Rot. Bonds9

About 2-[2-ethoxy-5-(trifluoromethyl)anilino]-N,N-bis(prop-2-enyl)acetamide

2-[2-ethoxy-5-(trifluoromethyl)anilino]-N,N-bis(prop-2-enyl)acetamide (PubChem CID 60587911) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-[2-ethoxy-5-(trifluoromethyl)anilino]-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[2-ethoxy-5-(trifluoromethyl)anilino]-N,N-bis(prop-2-enyl)acetamide
PubChem CID60587911
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Name2-[2-ethoxy-5-(trifluoromethyl)anilino]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CNc1cc(C(F)(F)F)ccc1OCC
InChIInChI=1S/C17H21F3N2O2/c1-4-9-22(10-5-2)16(23)12-21-14-11-13(17(18,19)20)7-8-15(14)24-6-3/h4-5,7-8,11,21H,1-2,6,9-10,12H2,3H3
InChIKeyDPMZDHJGMNUSOW-UHFFFAOYSA-N
XLogP3.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-carbamoyl-2-[2-ethoxy-5-(trifluoromethyl)anilino]acetamide
CID 47077756
2-ethoxy-N-ethyl-5-(trifluoromethyl)aniline
CID 82262859
N-[2-(2-chloroanilino)-2-oxoethyl]-2-[2-ethoxy-5-(trifluoromethyl)anilino]-N-methylacetamide
CID 60587790
4-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]piperazin-2-one
CID 60587676
2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
CID 698335
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea
CID 60586531
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
CID 1251443
methyl 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetate
CID 82646434
N-(tert-butylcarbamoyl)-2-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)anilino]acetamide
CID 2440684
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111474249
2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid
CID 82262840
2-but-3-enyl-1-ethoxy-4-(trifluoromethyl)benzene
CID 83921215

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-5-(trifluoromethyl)anilino]-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[2-ethoxy-5-(trifluoromethyl)anilino]-N,N-bis(prop-2-enyl)acetamide (CID 60587911) is 2-[2-ethoxy-5-(trifluoromethyl)anilino]-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[2-ethoxy-5-(trifluoromethyl)anilino]-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[2-ethoxy-5-(trifluoromethyl)anilino]-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CNc1cc(C(F)(F)F)ccc1OCC.
What is the InChIKey of 2-[2-ethoxy-5-(trifluoromethyl)anilino]-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is DPMZDHJGMNUSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c1-4-9-22(10-5-2)16(23)12-21-14-11-13(17(18,19)20)7-8-15(14)24-6-3/h4-5,7-8,11,21H,1-2,6,9-10,12H2,3H3.
What are the key properties of 2-[2-ethoxy-5-(trifluoromethyl)anilino]-N,N-bis(prop-2-enyl)acetamide?
2-[2-ethoxy-5-(trifluoromethyl)anilino]-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 342.36 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-5-(trifluoromethyl)anilino]-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 60587911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).