N-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide

C18H27FN2O3 — CID 71867561

IUPACN-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide
SMILESCOCC1CN(C(=O)NC(Cc2ccc(F)cc2)C(C)C)CCO1
InChIInChI=1S/C18H27FN2O3/c1-13(2)17(10-14-4-6-15(19)7-5-14)20-18(22)21-8-9-24-16(11-21)12-23-3/h4-7,13,16-17H,8-12H2,1-3H3,(H,20,22)
InChIKeyHVWZZYAJUVIBRG-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.45
Rot. Bonds6

About N-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide

N-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide (PubChem CID 71867561) has the molecular formula C18H27FN2O3 and a molecular weight of 338.42 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide
PubChem CID71867561
Molecular FormulaC18H27FN2O3
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC NameN-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide
SMILESCOCC1CN(C(=O)NC(Cc2ccc(F)cc2)C(C)C)CCO1
InChIInChI=1S/C18H27FN2O3/c1-13(2)17(10-14-4-6-15(19)7-5-14)20-18(22)21-8-9-24-16(11-21)12-23-3/h4-7,13,16-17H,8-12H2,1-3H3,(H,20,22)
InChIKeyHVWZZYAJUVIBRG-UHFFFAOYSA-N
XLogP2.45
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide (CID 71867561) is N-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide is COCC1CN(C(=O)NC(Cc2ccc(F)cc2)C(C)C)CCO1.
What is the InChIKey of N-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide?
The InChIKey is HVWZZYAJUVIBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O3/c1-13(2)17(10-14-4-6-15(19)7-5-14)20-18(22)21-8-9-24-16(11-21)12-23-3/h4-7,13,16-17H,8-12H2,1-3H3,(H,20,22).
What are the key properties of N-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide?
N-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide has a molecular weight of 338.42 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide is sourced from PubChem (CID 71867561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).