N-[1-(4-fluorophenyl)propan-2-yl]-2-(oxolan-2-ylmethylamino)acetamide

C16H23FN2O2 — CID 86780191

IUPACN-[1-(4-fluorophenyl)propan-2-yl]-2-(oxolan-2-ylmethylamino)acetamide
SMILESCC(Cc1ccc(F)cc1)NC(=O)CNCC1CCCO1
InChIInChI=1S/C16H23FN2O2/c1-12(9-13-4-6-14(17)7-5-13)19-16(20)11-18-10-15-3-2-8-21-15/h4-7,12,15,18H,2-3,8-11H2,1H3,(H,19,20)
InChIKeyGRUWFDVRQOFPOO-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.64
Rot. Bonds7

About N-[1-(4-fluorophenyl)propan-2-yl]-2-(oxolan-2-ylmethylamino)acetamide

N-[1-(4-fluorophenyl)propan-2-yl]-2-(oxolan-2-ylmethylamino)acetamide (PubChem CID 86780191) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propan-2-yl]-2-(oxolan-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propan-2-yl]-2-(oxolan-2-ylmethylamino)acetamide
PubChem CID86780191
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-[1-(4-fluorophenyl)propan-2-yl]-2-(oxolan-2-ylmethylamino)acetamide
SMILESCC(Cc1ccc(F)cc1)NC(=O)CNCC1CCCO1
InChIInChI=1S/C16H23FN2O2/c1-12(9-13-4-6-14(17)7-5-13)19-16(20)11-18-10-15-3-2-8-21-15/h4-7,12,15,18H,2-3,8-11H2,1H3,(H,19,20)
InChIKeyGRUWFDVRQOFPOO-UHFFFAOYSA-N
XLogP1.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119683065
N-[(2S)-butan-2-yl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 28585328
N-butan-2-yl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 71944060
N-[1-(4-ethylphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119685898
N-[(4-fluorophenyl)methyl]-N-methyl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119683651
N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methylamino]acetamide
CID 99715210
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
N'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 30405119
N-[1-(4-fluorophenyl)propan-2-yl]-2-piperidin-3-ylacetamide
CID 63010220
N-[(4-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119677338
N'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 30405125
N-(2,6-difluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 43405257

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-2-(oxolan-2-ylmethylamino)acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-2-(oxolan-2-ylmethylamino)acetamide (CID 86780191) is N-[1-(4-fluorophenyl)propan-2-yl]-2-(oxolan-2-ylmethylamino)acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)propan-2-yl]-2-(oxolan-2-ylmethylamino)acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)propan-2-yl]-2-(oxolan-2-ylmethylamino)acetamide is CC(Cc1ccc(F)cc1)NC(=O)CNCC1CCCO1.
What is the InChIKey of N-[1-(4-fluorophenyl)propan-2-yl]-2-(oxolan-2-ylmethylamino)acetamide?
The InChIKey is GRUWFDVRQOFPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-12(9-13-4-6-14(17)7-5-13)19-16(20)11-18-10-15-3-2-8-21-15/h4-7,12,15,18H,2-3,8-11H2,1H3,(H,19,20).
What are the key properties of N-[1-(4-fluorophenyl)propan-2-yl]-2-(oxolan-2-ylmethylamino)acetamide?
N-[1-(4-fluorophenyl)propan-2-yl]-2-(oxolan-2-ylmethylamino)acetamide has a molecular weight of 294.37 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propan-2-yl]-2-(oxolan-2-ylmethylamino)acetamide is sourced from PubChem (CID 86780191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).