2-(cyclopropylmethoxy)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide

C16H22FNO2 — CID 78892616

IUPAC2-(cyclopropylmethoxy)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCCN(C(=O)COCC1CC1)C(C)c1ccc(F)cc1
InChIInChI=1S/C16H22FNO2/c1-3-18(16(19)11-20-10-13-4-5-13)12(2)14-6-8-15(17)9-7-14/h6-9,12-13H,3-5,10-11H2,1-2H3
InChIKeyWHMAPENRNFZDPI-UHFFFAOYSA-N
MW279.36 g/mol
LogP3.16
Rot. Bonds7

About 2-(cyclopropylmethoxy)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide

2-(cyclopropylmethoxy)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 78892616) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
PubChem CID78892616
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Name2-(cyclopropylmethoxy)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCCN(C(=O)COCC1CC1)C(C)c1ccc(F)cc1
InChIInChI=1S/C16H22FNO2/c1-3-18(16(19)11-20-10-13-4-5-13)12(2)14-6-8-15(17)9-7-14/h6-9,12-13H,3-5,10-11H2,1-2H3
InChIKeyWHMAPENRNFZDPI-UHFFFAOYSA-N
XLogP3.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(cyclopropylmethoxy)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide (CID 78892616) is 2-(cyclopropylmethoxy)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide is CCN(C(=O)COCC1CC1)C(C)c1ccc(F)cc1.
What is the InChIKey of 2-(cyclopropylmethoxy)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is WHMAPENRNFZDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-3-18(16(19)11-20-10-13-4-5-13)12(2)14-6-8-15(17)9-7-14/h6-9,12-13H,3-5,10-11H2,1-2H3.
What are the key properties of 2-(cyclopropylmethoxy)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide?
2-(cyclopropylmethoxy)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 279.36 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 78892616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).