N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methoxy-2-methylpropanamide

C15H22FNO2 — CID 103028949

IUPACN-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methoxy-2-methylpropanamide
SMILESCCN(C(=O)C(C)(C)OC)C(C)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO2/c1-6-17(14(18)15(3,4)19-5)11(2)12-7-9-13(16)10-8-12/h7-11H,6H2,1-5H3
InChIKeyVMXSXOKMTMNIJQ-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.16
Rot. Bonds5

About N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methoxy-2-methylpropanamide

N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methoxy-2-methylpropanamide (PubChem CID 103028949) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methoxy-2-methylpropanamide
PubChem CID103028949
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC NameN-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methoxy-2-methylpropanamide
SMILESCCN(C(=O)C(C)(C)OC)C(C)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO2/c1-6-17(14(18)15(3,4)19-5)11(2)12-7-9-13(16)10-8-12/h7-11H,6H2,1-5H3
InChIKeyVMXSXOKMTMNIJQ-UHFFFAOYSA-N
XLogP3.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methoxy-2-methylpropanamide?
The IUPAC name of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methoxy-2-methylpropanamide (CID 103028949) is N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methoxy-2-methylpropanamide is CCN(C(=O)C(C)(C)OC)C(C)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methoxy-2-methylpropanamide?
The InChIKey is VMXSXOKMTMNIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-6-17(14(18)15(3,4)19-5)11(2)12-7-9-13(16)10-8-12/h7-11H,6H2,1-5H3.
What are the key properties of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methoxy-2-methylpropanamide?
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methoxy-2-methylpropanamide has a molecular weight of 267.34 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 103028949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).