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

C16H23FN2O3 — CID 71990031

IUPACN-[1-(3-fluorophenyl)propan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide
SMILESCOCC1CN(C(=O)NC(C)Cc2cccc(F)c2)CCO1
InChIInChI=1S/C16H23FN2O3/c1-12(8-13-4-3-5-14(17)9-13)18-16(20)19-6-7-22-15(10-19)11-21-2/h3-5,9,12,15H,6-8,10-11H2,1-2H3,(H,18,20)
InChIKeyZNZWYIFJDLVLIQ-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.81
Rot. Bonds5

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

N-[1-(3-fluorophenyl)propan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide (PubChem CID 71990031) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)propan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)propan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide
PubChem CID71990031
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC NameN-[1-(3-fluorophenyl)propan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide
SMILESCOCC1CN(C(=O)NC(C)Cc2cccc(F)c2)CCO1
InChIInChI=1S/C16H23FN2O3/c1-12(8-13-4-3-5-14(17)9-13)18-16(20)19-6-7-22-15(10-19)11-21-2/h3-5,9,12,15H,6-8,10-11H2,1-2H3,(H,18,20)
InChIKeyZNZWYIFJDLVLIQ-UHFFFAOYSA-N
XLogP1.81
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)propan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide?
The IUPAC name of N-[1-(3-fluorophenyl)propan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide (CID 71990031) is N-[1-(3-fluorophenyl)propan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)propan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide?
The canonical SMILES for N-[1-(3-fluorophenyl)propan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide is COCC1CN(C(=O)NC(C)Cc2cccc(F)c2)CCO1.
What is the InChIKey of N-[1-(3-fluorophenyl)propan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide?
The InChIKey is ZNZWYIFJDLVLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-12(8-13-4-3-5-14(17)9-13)18-16(20)19-6-7-22-15(10-19)11-21-2/h3-5,9,12,15H,6-8,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-[1-(3-fluorophenyl)propan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide?
N-[1-(3-fluorophenyl)propan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide has a molecular weight of 310.37 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)propan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide is sourced from PubChem (CID 71990031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).