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

C15H21FN2O2 — CID 115294203

IUPAC4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)C1(N)CCOCC1
InChIInChI=1S/C15H21FN2O2/c1-11(12-3-5-13(16)6-4-12)18(2)14(19)15(17)7-9-20-10-8-15/h3-6,11H,7-10,17H2,1-2H3
InChIKeyYQDNZJYQSPHQCI-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.85
Rot. Bonds3

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

4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide (PubChem CID 115294203) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide
PubChem CID115294203
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)C1(N)CCOCC1
InChIInChI=1S/C15H21FN2O2/c1-11(12-3-5-13(16)6-4-12)18(2)14(19)15(17)7-9-20-10-8-15/h3-6,11H,7-10,17H2,1-2H3
InChIKeyYQDNZJYQSPHQCI-UHFFFAOYSA-N
XLogP1.85
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide?
The IUPAC name of 4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide (CID 115294203) is 4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide?
The canonical SMILES for 4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide is CC(c1ccc(F)cc1)N(C)C(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide?
The InChIKey is YQDNZJYQSPHQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-11(12-3-5-13(16)6-4-12)18(2)14(19)15(17)7-9-20-10-8-15/h3-6,11H,7-10,17H2,1-2H3.
What are the key properties of 4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide?
4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide has a molecular weight of 280.34 g/mol, XLogP of 1.85, 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-methyloxane-4-carboxamide is sourced from PubChem (CID 115294203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).