N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C16H24FNO2 — CID 115950073

IUPACN-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCCN(C(=O)COC(C)(C)C)C(C)c1ccc(F)cc1
InChIInChI=1S/C16H24FNO2/c1-6-18(15(19)11-20-16(3,4)5)12(2)13-7-9-14(17)10-8-13/h7-10,12H,6,11H2,1-5H3
InChIKeyFBHIUDCMLLRBBL-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.55
Rot. Bonds5

About N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 115950073) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID115950073
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC NameN-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCCN(C(=O)COC(C)(C)C)C(C)c1ccc(F)cc1
InChIInChI=1S/C16H24FNO2/c1-6-18(15(19)11-20-16(3,4)5)12(2)13-7-9-14(17)10-8-13/h7-10,12H,6,11H2,1-5H3
InChIKeyFBHIUDCMLLRBBL-UHFFFAOYSA-N
XLogP3.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-methylpentanamide
CID 78892655
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-oxobutanamide
CID 54876478
2-(cyclopropylmethoxy)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 78892616
N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60794877
3-chloro-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 54875564
ethyl 4-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-4-oxobutanoate
CID 60795014
4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 87018231
5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]hexanamide
CID 82852194
2-(4-aminophenyl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride
CID 119737208
2-hydroxyethyl N-ethyl-N-[1-(4-fluorophenyl)ethyl]carbamate
CID 79346125
3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-phenylpropanamide
CID 119950245
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 79287578

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 115950073) is N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is CCN(C(=O)COC(C)(C)C)C(C)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is FBHIUDCMLLRBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-6-18(15(19)11-20-16(3,4)5)12(2)13-7-9-14(17)10-8-13/h7-10,12H,6,11H2,1-5H3.
What are the key properties of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 281.37 g/mol, XLogP of 3.55, 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-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 115950073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).