N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide

C17H21F4NO3 — CID 46985229

IUPACN-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESCCOc1cccc(CN(C(=O)COCC(F)(F)C(F)F)C2CC2)c1
InChIInChI=1S/C17H21F4NO3/c1-2-25-14-5-3-4-12(8-14)9-22(13-6-7-13)15(23)10-24-11-17(20,21)16(18)19/h3-5,8,13,16H,2,6-7,9-11H2,1H3
InChIKeyDESFMUGWUQOYLK-UHFFFAOYSA-N
MW363.35 g/mol
LogP3.49
Rot. Bonds10

About N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide

N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide (PubChem CID 46985229) has the molecular formula C17H21F4NO3 and a molecular weight of 363.35 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
PubChem CID46985229
Molecular FormulaC17H21F4NO3
Molecular Weight363.35 g/mol
Exact Mass363.15
IUPAC NameN-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESCCOc1cccc(CN(C(=O)COCC(F)(F)C(F)F)C2CC2)c1
InChIInChI=1S/C17H21F4NO3/c1-2-25-14-5-3-4-12(8-14)9-22(13-6-7-13)15(23)10-24-11-17(20,21)16(18)19/h3-5,8,13,16H,2,6-7,9-11H2,1H3
InChIKeyDESFMUGWUQOYLK-UHFFFAOYSA-N
XLogP3.49
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-propoxyacetamide
CID 103801005
[3-[[cyclopropyl-(2-methoxyacetyl)amino]methyl]phenyl] ethanesulfonate
CID 42811412
1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-(2-methylsulfanylethyl)urea
CID 119065491
N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-4-methylpyridine-3-carboxamide
CID 46998435
2-[3-(aminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61487869
N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-3-[(2-methoxyacetyl)amino]benzamide
CID 50975306
N-cyclopropyl-N-ethyl-2-[3-(ethylaminomethyl)phenoxy]acetamide
CID 61488014
1-(bromomethyl)-3-(2,2,3,3-tetrafluoropropoxy)benzene
CID 86068630
N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 46996074
1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]urea
CID 126442915
N-cyclopropyl-N-ethyl-2-(3-fluorophenoxy)acetamide
CID 60729344
N-cyclopropyl-6-ethoxy-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 55829589

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The IUPAC name of N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide (CID 46985229) is N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide.
What is the SMILES notation for N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The canonical SMILES for N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide is CCOc1cccc(CN(C(=O)COCC(F)(F)C(F)F)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The InChIKey is DESFMUGWUQOYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F4NO3/c1-2-25-14-5-3-4-12(8-14)9-22(13-6-7-13)15(23)10-24-11-17(20,21)16(18)19/h3-5,8,13,16H,2,6-7,9-11H2,1H3.
What are the key properties of N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide has a molecular weight of 363.35 g/mol, XLogP of 3.49, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide is sourced from PubChem (CID 46985229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).