3-methoxy-N,2,2-trimethyl-N-[(3,4,5-trifluorophenyl)methyl]propanamide

C14H18F3NO2 — CID 121446751

IUPAC3-methoxy-N,2,2-trimethyl-N-[(3,4,5-trifluorophenyl)methyl]propanamide
SMILESCOCC(C)(C)C(=O)N(C)Cc1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H18F3NO2/c1-14(2,8-20-4)13(19)18(3)7-9-5-10(15)12(17)11(16)6-9/h5-6H,7-8H2,1-4H3
InChIKeyCOXVXQUSYWVLIG-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.73
Rot. Bonds5

About 3-methoxy-N,2,2-trimethyl-N-[(3,4,5-trifluorophenyl)methyl]propanamide

3-methoxy-N,2,2-trimethyl-N-[(3,4,5-trifluorophenyl)methyl]propanamide (PubChem CID 121446751) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 3-methoxy-N,2,2-trimethyl-N-[(3,4,5-trifluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-methoxy-N,2,2-trimethyl-N-[(3,4,5-trifluorophenyl)methyl]propanamide
PubChem CID121446751
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name3-methoxy-N,2,2-trimethyl-N-[(3,4,5-trifluorophenyl)methyl]propanamide
SMILESCOCC(C)(C)C(=O)N(C)Cc1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H18F3NO2/c1-14(2,8-20-4)13(19)18(3)7-9-5-10(15)12(17)11(16)6-9/h5-6H,7-8H2,1-4H3
InChIKeyCOXVXQUSYWVLIG-UHFFFAOYSA-N
XLogP2.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,2,2-trimethyl-N-[(3,4,5-trifluorophenyl)methyl]propanamide?
The IUPAC name of 3-methoxy-N,2,2-trimethyl-N-[(3,4,5-trifluorophenyl)methyl]propanamide (CID 121446751) is 3-methoxy-N,2,2-trimethyl-N-[(3,4,5-trifluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-methoxy-N,2,2-trimethyl-N-[(3,4,5-trifluorophenyl)methyl]propanamide?
The canonical SMILES for 3-methoxy-N,2,2-trimethyl-N-[(3,4,5-trifluorophenyl)methyl]propanamide is COCC(C)(C)C(=O)N(C)Cc1cc(F)c(F)c(F)c1.
What is the InChIKey of 3-methoxy-N,2,2-trimethyl-N-[(3,4,5-trifluorophenyl)methyl]propanamide?
The InChIKey is COXVXQUSYWVLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-14(2,8-20-4)13(19)18(3)7-9-5-10(15)12(17)11(16)6-9/h5-6H,7-8H2,1-4H3.
What are the key properties of 3-methoxy-N,2,2-trimethyl-N-[(3,4,5-trifluorophenyl)methyl]propanamide?
3-methoxy-N,2,2-trimethyl-N-[(3,4,5-trifluorophenyl)methyl]propanamide has a molecular weight of 289.30 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,2,2-trimethyl-N-[(3,4,5-trifluorophenyl)methyl]propanamide is sourced from PubChem (CID 121446751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).