N-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide

C16H23FN2O3 — CID 31665805

IUPACN-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCN(CCOc1ccccc1F)C(=O)CNC(=O)C(C)(C)C
InChIInChI=1S/C16H23FN2O3/c1-16(2,3)15(21)18-11-14(20)19(4)9-10-22-13-8-6-5-7-12(13)17/h5-8H,9-11H2,1-4H3,(H,18,21)
InChIKeyMXDRHDDOVYGPPS-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.83
Rot. Bonds6

About N-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide

N-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 31665805) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is N-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
PubChem CID31665805
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC NameN-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCN(CCOc1ccccc1F)C(=O)CNC(=O)C(C)(C)C
InChIInChI=1S/C16H23FN2O3/c1-16(2,3)15(21)18-11-14(20)19(4)9-10-22-13-8-6-5-7-12(13)17/h5-8H,9-11H2,1-4H3,(H,18,21)
InChIKeyMXDRHDDOVYGPPS-UHFFFAOYSA-N
XLogP1.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[N-[2-(2-fluorophenoxy)ethyl]-N,N'-dimethylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111419461
N-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18120021
2,2-dimethyl-N-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-2-oxoethyl]propanamide
CID 31666859
5-(2,2-dimethylpropanoylamino)-N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethylthiophene-2-carboxamide
CID 33257999
6-[2-(2-fluorophenoxy)ethyl-methylamino]-6-oxohexanoic acid
CID 60952825
5-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 54875239
2-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide
CID 79805740
N-[4-(2-fluorophenoxy)but-2-ynyl]-2,2-dimethylpropanamide
CID 90574385
N-[2-(2-fluorophenoxy)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 26960625
3-(2-aminophenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide
CID 120608378
3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 134044702
4-amino-N-[2-(2-fluorophenoxy)ethyl]-3-methoxy-N-methylbutanamide;hydrochloride
CID 120587497

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide (CID 31665805) is N-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide is CN(CCOc1ccccc1F)C(=O)CNC(=O)C(C)(C)C.
What is the InChIKey of N-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide?
The InChIKey is MXDRHDDOVYGPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-16(2,3)15(21)18-11-14(20)19(4)9-10-22-13-8-6-5-7-12(13)17/h5-8H,9-11H2,1-4H3,(H,18,21).
What are the key properties of N-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide?
N-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 310.37 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 31665805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).