2-[ethyl-[[3-(hydroxymethyl)oxetan-3-yl]methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide

C16H23FN2O3 — CID 111976581

IUPAC2-[ethyl-[[3-(hydroxymethyl)oxetan-3-yl]methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)CC1(CO)COC1
InChIInChI=1S/C16H23FN2O3/c1-2-19(9-16(10-20)11-22-12-16)8-15(21)18-7-13-3-5-14(17)6-4-13/h3-6,20H,2,7-12H2,1H3,(H,18,21)
InChIKeyXCQCYWDTABLIRU-UHFFFAOYSA-N
MW310.37 g/mol
LogP0.77
Rot. Bonds8

About 2-[ethyl-[[3-(hydroxymethyl)oxetan-3-yl]methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide

2-[ethyl-[[3-(hydroxymethyl)oxetan-3-yl]methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 111976581) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-[ethyl-[[3-(hydroxymethyl)oxetan-3-yl]methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[ethyl-[[3-(hydroxymethyl)oxetan-3-yl]methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID111976581
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name2-[ethyl-[[3-(hydroxymethyl)oxetan-3-yl]methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)CC1(CO)COC1
InChIInChI=1S/C16H23FN2O3/c1-2-19(9-16(10-20)11-22-12-16)8-15(21)18-7-13-3-5-14(17)6-4-13/h3-6,20H,2,7-12H2,1H3,(H,18,21)
InChIKeyXCQCYWDTABLIRU-UHFFFAOYSA-N
XLogP0.77
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[2-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 95907538
2-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 31371490
2-[ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27201362
2-[ethyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27083840
N-benzyl-2-(diethylamino)acetamide
CID 969777
2-[[2-(4-bromoanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27201213
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 106615509
2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 9349212
2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 26511026
2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 2522121
3-[(4-fluorophenyl)methylcarbamoyl]oxetane-3-carboxylic acid
CID 115184975
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27201468

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[[3-(hydroxymethyl)oxetan-3-yl]methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[ethyl-[[3-(hydroxymethyl)oxetan-3-yl]methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide (CID 111976581) is 2-[ethyl-[[3-(hydroxymethyl)oxetan-3-yl]methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[ethyl-[[3-(hydroxymethyl)oxetan-3-yl]methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[ethyl-[[3-(hydroxymethyl)oxetan-3-yl]methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide is CCN(CC(=O)NCc1ccc(F)cc1)CC1(CO)COC1.
What is the InChIKey of 2-[ethyl-[[3-(hydroxymethyl)oxetan-3-yl]methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is XCQCYWDTABLIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-2-19(9-16(10-20)11-22-12-16)8-15(21)18-7-13-3-5-14(17)6-4-13/h3-6,20H,2,7-12H2,1H3,(H,18,21).
What are the key properties of 2-[ethyl-[[3-(hydroxymethyl)oxetan-3-yl]methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[ethyl-[[3-(hydroxymethyl)oxetan-3-yl]methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 310.37 g/mol, XLogP of 0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[[3-(hydroxymethyl)oxetan-3-yl]methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 111976581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).