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

C14H20FNO2 — CID 103028756

IUPACN-[1-(4-fluorophenyl)ethyl]-2-methoxy-N,2-dimethylpropanamide
SMILESCOC(C)(C)C(=O)N(C)C(C)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c1-10(11-6-8-12(15)9-7-11)16(4)13(17)14(2,3)18-5/h6-10H,1-5H3
InChIKeyPRCLDIFYQPENSP-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.77
Rot. Bonds4

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

N-[1-(4-fluorophenyl)ethyl]-2-methoxy-N,2-dimethylpropanamide (PubChem CID 103028756) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2-methoxy-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-2-methoxy-N,2-dimethylpropanamide
PubChem CID103028756
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-2-methoxy-N,2-dimethylpropanamide
SMILESCOC(C)(C)C(=O)N(C)C(C)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c1-10(11-6-8-12(15)9-7-11)16(4)13(17)14(2,3)18-5/h6-10H,1-5H3
InChIKeyPRCLDIFYQPENSP-UHFFFAOYSA-N
XLogP2.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-methoxy-N,2-dimethylpropanamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-methoxy-N,2-dimethylpropanamide (CID 103028756) is N-[1-(4-fluorophenyl)ethyl]-2-methoxy-N,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2-methoxy-N,2-dimethylpropanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2-methoxy-N,2-dimethylpropanamide is COC(C)(C)C(=O)N(C)C(C)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2-methoxy-N,2-dimethylpropanamide?
The InChIKey is PRCLDIFYQPENSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-10(11-6-8-12(15)9-7-11)16(4)13(17)14(2,3)18-5/h6-10H,1-5H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2-methoxy-N,2-dimethylpropanamide?
N-[1-(4-fluorophenyl)ethyl]-2-methoxy-N,2-dimethylpropanamide has a molecular weight of 253.32 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-2-methoxy-N,2-dimethylpropanamide is sourced from PubChem (CID 103028756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).