2-cyclopropyl-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]propanamide

C16H20F3NO3 — CID 133203979

IUPAC2-cyclopropyl-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]propanamide
SMILESCCOC(C)(C(=O)Nc1ccc(OC)c(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C16H20F3NO3/c1-4-23-15(2,10-5-6-10)14(21)20-11-7-8-13(22-3)12(9-11)16(17,18)19/h7-10H,4-6H2,1-3H3,(H,20,21)
InChIKeySRXCLEOKBOEXJW-UHFFFAOYSA-N
MW331.33 g/mol
LogP3.86
Rot. Bonds6

About 2-cyclopropyl-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]propanamide

2-cyclopropyl-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]propanamide (PubChem CID 133203979) has the molecular formula C16H20F3NO3 and a molecular weight of 331.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-cyclopropyl-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]propanamide
PubChem CID133203979
Molecular FormulaC16H20F3NO3
Molecular Weight331.33 g/mol
Exact Mass331.14
IUPAC Name2-cyclopropyl-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]propanamide
SMILESCCOC(C)(C(=O)Nc1ccc(OC)c(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C16H20F3NO3/c1-4-23-15(2,10-5-6-10)14(21)20-11-7-8-13(22-3)12(9-11)16(17,18)19/h7-10H,4-6H2,1-3H3,(H,20,21)
InChIKeySRXCLEOKBOEXJW-UHFFFAOYSA-N
XLogP3.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-[[(2R)-2-cyclopropyl-2-ethoxypropanoyl]amino]-2-methoxybenzoate
CID 100763279
(2S)-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpentanamide
CID 100759967
N-(3-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
CID 133203996
N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 100750932
N-(3-cyano-4-methoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 133205487
(2S)-2-cyclopropyl-2-ethoxy-N-(4-methoxynaphthalen-1-yl)propanamide
CID 100763642
2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,4-dimethylpentanamide
CID 133230010
(2S)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100764483
(2S)-2-cyclopropyl-N-(4-ethoxy-3-methylphenyl)-2-propoxypropanamide
CID 100718104
(2S)-2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methylheptanamide
CID 100761098
(2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
CID 100734854
(2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide
CID 100735000

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-cyclopropyl-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]propanamide (CID 133203979) is 2-cyclopropyl-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-cyclopropyl-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-cyclopropyl-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]propanamide is CCOC(C)(C(=O)Nc1ccc(OC)c(C(F)(F)F)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is SRXCLEOKBOEXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO3/c1-4-23-15(2,10-5-6-10)14(21)20-11-7-8-13(22-3)12(9-11)16(17,18)19/h7-10H,4-6H2,1-3H3,(H,20,21).
What are the key properties of 2-cyclopropyl-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]propanamide?
2-cyclopropyl-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 331.33 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 133203979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).