N-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

C22H24F3NO3 — CID 56684341

IUPACN-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCOc1ccc(CC(=O)N(C2CC2)C(C)c2cccc(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C22H24F3NO3/c1-14(16-5-4-6-17(13-16)22(23,24)25)26(18-8-9-18)21(27)12-15-7-10-19(28-2)20(11-15)29-3/h4-7,10-11,13-14,18H,8-9,12H2,1-3H3
InChIKeyIMFFJAWWTKGLIN-UHFFFAOYSA-N
MW407.43 g/mol
LogP5.02
Rot. Bonds7

About N-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

N-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 56684341) has the molecular formula C22H24F3NO3 and a molecular weight of 407.43 g/mol. Its IUPAC name is N-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID56684341
Molecular FormulaC22H24F3NO3
Molecular Weight407.43 g/mol
Exact Mass407.17
IUPAC NameN-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCOc1ccc(CC(=O)N(C2CC2)C(C)c2cccc(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C22H24F3NO3/c1-14(16-5-4-6-17(13-16)22(23,24)25)26(18-8-9-18)21(27)12-15-7-10-19(28-2)20(11-15)29-3/h4-7,10-11,13-14,18H,8-9,12H2,1-3H3
InChIKeyIMFFJAWWTKGLIN-UHFFFAOYSA-N
XLogP5.02
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.43
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 99849482
4-amino-N-cyclopropyl-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 120589542
N-cyclopropyl-3-(2-hydroxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 112820407
N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 52573052
N-cyclopropyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 52573051
2-(benzotriazol-1-yl)-N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 56684344
N-[1-(3-chlorophenyl)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide
CID 75871905
N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119297142
2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119181796
N-cyclopropyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 55594692
3-acetamido-3-(4-chlorophenyl)-N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 55594929
N-cyclopropyl-3-(3-oxo-1,4-benzoxazin-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 55595162

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of N-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide (CID 56684341) is N-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide is COc1ccc(CC(=O)N(C2CC2)C(C)c2cccc(C(F)(F)F)c2)cc1OC.
What is the InChIKey of N-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is IMFFJAWWTKGLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3NO3/c1-14(16-5-4-6-17(13-16)22(23,24)25)26(18-8-9-18)21(27)12-15-7-10-19(28-2)20(11-15)29-3/h4-7,10-11,13-14,18H,8-9,12H2,1-3H3.
What are the key properties of N-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
N-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 407.43 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 56684341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).