4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxolane-3-carboxamide

C14H19FN2O2 — CID 66240658

IUPAC4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxolane-3-carboxamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)C1COCC1N
InChIInChI=1S/C14H19FN2O2/c1-9(10-3-5-11(15)6-4-10)17(2)14(18)12-7-19-8-13(12)16/h3-6,9,12-13H,7-8,16H2,1-2H3
InChIKeyWPHAGHDEKXBXAJ-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.32
Rot. Bonds3

About 4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxolane-3-carboxamide

4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxolane-3-carboxamide (PubChem CID 66240658) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxolane-3-carboxamide
PubChem CID66240658
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxolane-3-carboxamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)C1COCC1N
InChIInChI=1S/C14H19FN2O2/c1-9(10-3-5-11(15)6-4-10)17(2)14(18)12-7-19-8-13(12)16/h3-6,9,12-13H,7-8,16H2,1-2H3
InChIKeyWPHAGHDEKXBXAJ-UHFFFAOYSA-N
XLogP1.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methyloxolane-3-carboxamide
CID 66239454
2-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 114997863
N-[1-(4-fluorophenyl)ethyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119275393
N-[1-(4-fluorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 54869659
N-[1-(4-fluorophenyl)ethyl]-N-methylfuran-2-carboxamide
CID 60698505
4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide
CID 115294203
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide
CID 64824759
(2R)-2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119275395
2,2-difluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 124671108
2-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid
CID 66235466
4-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methyloxolane-3-carboxamide
CID 66240651
1-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide
CID 81173083

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxolane-3-carboxamide (CID 66240658) is 4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxolane-3-carboxamide is CC(c1ccc(F)cc1)N(C)C(=O)C1COCC1N.
What is the InChIKey of 4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxolane-3-carboxamide?
The InChIKey is WPHAGHDEKXBXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-9(10-3-5-11(15)6-4-10)17(2)14(18)12-7-19-8-13(12)16/h3-6,9,12-13H,7-8,16H2,1-2H3.
What are the key properties of 4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxolane-3-carboxamide?
4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxolane-3-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 66240658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).