N-[2-(3-fluorophenyl)ethyl]-2,2-dimethyloxane-4-carboxamide

C16H22FNO2 — CID 74244914

IUPACN-[2-(3-fluorophenyl)ethyl]-2,2-dimethyloxane-4-carboxamide
SMILESCC1(C)CC(C(=O)NCCc2cccc(F)c2)CCO1
InChIInChI=1S/C16H22FNO2/c1-16(2)11-13(7-9-20-16)15(19)18-8-6-12-4-3-5-14(17)10-12/h3-5,10,13H,6-9,11H2,1-2H3,(H,18,19)
InChIKeyPEVFFDKDMGHGQO-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.69
Rot. Bonds4

About N-[2-(3-fluorophenyl)ethyl]-2,2-dimethyloxane-4-carboxamide

N-[2-(3-fluorophenyl)ethyl]-2,2-dimethyloxane-4-carboxamide (PubChem CID 74244914) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-2,2-dimethyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-2,2-dimethyloxane-4-carboxamide
PubChem CID74244914
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-2,2-dimethyloxane-4-carboxamide
SMILESCC1(C)CC(C(=O)NCCc2cccc(F)c2)CCO1
InChIInChI=1S/C16H22FNO2/c1-16(2)11-13(7-9-20-16)15(19)18-8-6-12-4-3-5-14(17)10-12/h3-5,10,13H,6-9,11H2,1-2H3,(H,18,19)
InChIKeyPEVFFDKDMGHGQO-UHFFFAOYSA-N
XLogP2.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-2,2-dimethyl-N-(2-phenylethyl)oxane-4-carboxamide
CID 930235
(2S,4S)-N-[2-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120618703
N-[2-(3-fluorophenyl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 18157335
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2,2-dimethyloxane-4-carboxamide;2,2,2-trifluoroacetic acid
CID 154885829
N-[2-(3-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 43566290
N-[2-(3-fluorophenyl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 32796393
(4R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethyloxane-4-carboxamide
CID 137108620
N-[2-(3-fluorophenyl)ethyl]-3-methylbut-2-enamide
CID 127125179
2,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]oxane-4-carboxamide
CID 131921433
N-[2-(3-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 16675649
N-[2-(3-fluorophenyl)ethyl]-2-(methylamino)acetamide
CID 43566280
cis-(1S,2R)-N-[2-(3-fluorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 95298659

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2,2-dimethyloxane-4-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2,2-dimethyloxane-4-carboxamide (CID 74244914) is N-[2-(3-fluorophenyl)ethyl]-2,2-dimethyloxane-4-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-2,2-dimethyloxane-4-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-2,2-dimethyloxane-4-carboxamide is CC1(C)CC(C(=O)NCCc2cccc(F)c2)CCO1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-2,2-dimethyloxane-4-carboxamide?
The InChIKey is PEVFFDKDMGHGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-16(2)11-13(7-9-20-16)15(19)18-8-6-12-4-3-5-14(17)10-12/h3-5,10,13H,6-9,11H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-2,2-dimethyloxane-4-carboxamide?
N-[2-(3-fluorophenyl)ethyl]-2,2-dimethyloxane-4-carboxamide has a molecular weight of 279.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-2,2-dimethyloxane-4-carboxamide is sourced from PubChem (CID 74244914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).