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

C14H19FN2O2 — CID 66248505

IUPAC4-amino-N-[1-(3-fluorophenyl)ethyl]-3-methyloxolane-3-carboxamide
SMILESCC(NC(=O)C1(C)COCC1N)c1cccc(F)c1
InChIInChI=1S/C14H19FN2O2/c1-9(10-4-3-5-11(15)6-10)17-13(18)14(2)8-19-7-12(14)16/h3-6,9,12H,7-8,16H2,1-2H3,(H,17,18)
InChIKeyHSAGBQCQXBNUSK-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.37
Rot. Bonds3

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

4-amino-N-[1-(3-fluorophenyl)ethyl]-3-methyloxolane-3-carboxamide (PubChem CID 66248505) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-amino-N-[1-(3-fluorophenyl)ethyl]-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(3-fluorophenyl)ethyl]-3-methyloxolane-3-carboxamide
PubChem CID66248505
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name4-amino-N-[1-(3-fluorophenyl)ethyl]-3-methyloxolane-3-carboxamide
SMILESCC(NC(=O)C1(C)COCC1N)c1cccc(F)c1
InChIInChI=1S/C14H19FN2O2/c1-9(10-4-3-5-11(15)6-10)17-13(18)14(2)8-19-7-12(14)16/h3-6,9,12H,7-8,16H2,1-2H3,(H,17,18)
InChIKeyHSAGBQCQXBNUSK-UHFFFAOYSA-N
XLogP1.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(3-fluorophenyl)ethyl]oxolane-3-carboxamide
CID 64892785
1-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 81366451
4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methyloxolane-3-carboxamide
CID 66248069
1-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide
CID 80587906
4-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]oxolane-3-carboxamide
CID 106388310
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
methyl (2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]propanoate
CID 66249249
N-[1-(3-fluorophenyl)ethyl]cyclopropanecarboxamide
CID 60630491
1-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide
CID 115442476
(2R)-2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81364932
2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365596
4-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methyloxolane-3-carboxamide
CID 66263893

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(3-fluorophenyl)ethyl]-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[1-(3-fluorophenyl)ethyl]-3-methyloxolane-3-carboxamide (CID 66248505) is 4-amino-N-[1-(3-fluorophenyl)ethyl]-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(3-fluorophenyl)ethyl]-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[1-(3-fluorophenyl)ethyl]-3-methyloxolane-3-carboxamide is CC(NC(=O)C1(C)COCC1N)c1cccc(F)c1.
What is the InChIKey of 4-amino-N-[1-(3-fluorophenyl)ethyl]-3-methyloxolane-3-carboxamide?
The InChIKey is HSAGBQCQXBNUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-9(10-4-3-5-11(15)6-10)17-13(18)14(2)8-19-7-12(14)16/h3-6,9,12H,7-8,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-[1-(3-fluorophenyl)ethyl]-3-methyloxolane-3-carboxamide?
4-amino-N-[1-(3-fluorophenyl)ethyl]-3-methyloxolane-3-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(3-fluorophenyl)ethyl]-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 66248505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).