N-[1-[2,5-dimethoxy-4-(2-methoxyethyl)phenyl]propan-2-yl]-2,2,2-trifluoroacetamide

C16H22F3NO4 — CID 90952710

IUPACN-[1-[2,5-dimethoxy-4-(2-methoxyethyl)phenyl]propan-2-yl]-2,2,2-trifluoroacetamide
SMILESCOCCc1cc(OC)c(CC(C)NC(=O)C(F)(F)F)cc1OC
InChIInChI=1S/C16H22F3NO4/c1-10(20-15(21)16(17,18)19)7-12-9-13(23-3)11(5-6-22-2)8-14(12)24-4/h8-10H,5-7H2,1-4H3,(H,20,21)
InChIKeyDXNRRFNOQQSAEG-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.50
Rot. Bonds8

About N-[1-[2,5-dimethoxy-4-(2-methoxyethyl)phenyl]propan-2-yl]-2,2,2-trifluoroacetamide

N-[1-[2,5-dimethoxy-4-(2-methoxyethyl)phenyl]propan-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 90952710) has the molecular formula C16H22F3NO4 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-[1-[2,5-dimethoxy-4-(2-methoxyethyl)phenyl]propan-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-[2,5-dimethoxy-4-(2-methoxyethyl)phenyl]propan-2-yl]-2,2,2-trifluoroacetamide
PubChem CID90952710
Molecular FormulaC16H22F3NO4
Molecular Weight349.35 g/mol
Exact Mass349.15
IUPAC NameN-[1-[2,5-dimethoxy-4-(2-methoxyethyl)phenyl]propan-2-yl]-2,2,2-trifluoroacetamide
SMILESCOCCc1cc(OC)c(CC(C)NC(=O)C(F)(F)F)cc1OC
InChIInChI=1S/C16H22F3NO4/c1-10(20-15(21)16(17,18)19)7-12-9-13(23-3)11(5-6-22-2)8-14(12)24-4/h8-10H,5-7H2,1-4H3,(H,20,21)
InChIKeyDXNRRFNOQQSAEG-UHFFFAOYSA-N
XLogP2.50
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2,5-dimethoxy-4-(2-methoxyethyl)phenyl]propan-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-[2,5-dimethoxy-4-(2-methoxyethyl)phenyl]propan-2-yl]-2,2,2-trifluoroacetamide (CID 90952710) is N-[1-[2,5-dimethoxy-4-(2-methoxyethyl)phenyl]propan-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-[2,5-dimethoxy-4-(2-methoxyethyl)phenyl]propan-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-[2,5-dimethoxy-4-(2-methoxyethyl)phenyl]propan-2-yl]-2,2,2-trifluoroacetamide is COCCc1cc(OC)c(CC(C)NC(=O)C(F)(F)F)cc1OC.
What is the InChIKey of N-[1-[2,5-dimethoxy-4-(2-methoxyethyl)phenyl]propan-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is DXNRRFNOQQSAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO4/c1-10(20-15(21)16(17,18)19)7-12-9-13(23-3)11(5-6-22-2)8-14(12)24-4/h8-10H,5-7H2,1-4H3,(H,20,21).
What are the key properties of N-[1-[2,5-dimethoxy-4-(2-methoxyethyl)phenyl]propan-2-yl]-2,2,2-trifluoroacetamide?
N-[1-[2,5-dimethoxy-4-(2-methoxyethyl)phenyl]propan-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 349.35 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2,5-dimethoxy-4-(2-methoxyethyl)phenyl]propan-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 90952710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).