N-ethyl-N-[(2S)-2-fluoropropyl]-2-methoxyacetamide

C8H16FNO2 — CID 145336304

IUPACN-ethyl-N-[(2S)-2-fluoropropyl]-2-methoxyacetamide
SMILESCCN(C[C@H](C)F)C(=O)COC
InChIInChI=1S/C8H16FNO2/c1-4-10(5-7(2)9)8(11)6-12-3/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyJOGSNDCDEWRYFS-ZETCQYMHSA-N
MW177.22 g/mol
LogP0.84
Rot. Bonds5

About N-ethyl-N-[(2S)-2-fluoropropyl]-2-methoxyacetamide

N-ethyl-N-[(2S)-2-fluoropropyl]-2-methoxyacetamide (PubChem CID 145336304) has the molecular formula C8H16FNO2 and a molecular weight of 177.22 g/mol. Its IUPAC name is N-ethyl-N-[(2S)-2-fluoropropyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-ethyl-N-[(2S)-2-fluoropropyl]-2-methoxyacetamide
PubChem CID145336304
Molecular FormulaC8H16FNO2
Molecular Weight177.22 g/mol
Exact Mass177.12
IUPAC NameN-ethyl-N-[(2S)-2-fluoropropyl]-2-methoxyacetamide
SMILESCCN(C[C@H](C)F)C(=O)COC
InChIInChI=1S/C8H16FNO2/c1-4-10(5-7(2)9)8(11)6-12-3/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyJOGSNDCDEWRYFS-ZETCQYMHSA-N
XLogP0.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[(2S)-2-methoxypropyl]propanamide
CID 172573690
2-[ethyl-(2-methoxyacetyl)amino]acetamide
CID 103104209
tert-butyl N-ethyl-N-(2-fluoropropyl)carbamate
CID 123629374
2-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 60779660
N-ethyl-N-(2-methylpropyl)propanamide
CID 54345595
N-(3-aminopropyl)-N-ethyl-2-methoxyacetamide
CID 61276945
2-[2-[ethyl(2-methylbutyl)amino]-2-oxoethoxy]acetic acid
CID 79477429
2-[2-(diethylamino)-2-oxoethoxy]-N,N-diethylacetamide
CID 12729092
2-(2-aminoethoxy)-N-ethyl-N-(2-methylpropyl)acetamide
CID 79473023
2-methoxy-N,N-dipentylacetamide
CID 60776145
N-ethyl-N-(2-hydroxy-3-methylbutyl)propanamide
CID 59974405
3-[3-ethoxypropyl-(2-methoxyacetyl)amino]-2-methylpropanoic acid
CID 82325749

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2S)-2-fluoropropyl]-2-methoxyacetamide?
The IUPAC name of N-ethyl-N-[(2S)-2-fluoropropyl]-2-methoxyacetamide (CID 145336304) is N-ethyl-N-[(2S)-2-fluoropropyl]-2-methoxyacetamide.
What is the SMILES notation for N-ethyl-N-[(2S)-2-fluoropropyl]-2-methoxyacetamide?
The canonical SMILES for N-ethyl-N-[(2S)-2-fluoropropyl]-2-methoxyacetamide is CCN(C[C@H](C)F)C(=O)COC.
What is the InChIKey of N-ethyl-N-[(2S)-2-fluoropropyl]-2-methoxyacetamide?
The InChIKey is JOGSNDCDEWRYFS-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16FNO2/c1-4-10(5-7(2)9)8(11)6-12-3/h7H,4-6H2,1-3H3/t7-/m0/s1.
What are the key properties of N-ethyl-N-[(2S)-2-fluoropropyl]-2-methoxyacetamide?
N-ethyl-N-[(2S)-2-fluoropropyl]-2-methoxyacetamide has a molecular weight of 177.22 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2S)-2-fluoropropyl]-2-methoxyacetamide is sourced from PubChem (CID 145336304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).