4-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-2,4-dicarboxamide

C17H22FN3O3 — CID 71934725

IUPAC4-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-2,4-dicarboxamide
SMILESNC(=O)C1CN(C(=O)NCC2(c3ccc(F)cc3)CCC2)CCO1
InChIInChI=1S/C17H22FN3O3/c18-13-4-2-12(3-5-13)17(6-1-7-17)11-20-16(23)21-8-9-24-14(10-21)15(19)22/h2-5,14H,1,6-11H2,(H2,19,22)(H,20,23)
InChIKeyWGJAQOLLEMVXHY-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.14
Rot. Bonds4

About 4-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-2,4-dicarboxamide

4-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-2,4-dicarboxamide (PubChem CID 71934725) has the molecular formula C17H22FN3O3 and a molecular weight of 335.38 g/mol. Its IUPAC name is 4-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-2,4-dicarboxamide
PubChem CID71934725
Molecular FormulaC17H22FN3O3
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC Name4-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-2,4-dicarboxamide
SMILESNC(=O)C1CN(C(=O)NCC2(c3ccc(F)cc3)CCC2)CCO1
InChIInChI=1S/C17H22FN3O3/c18-13-4-2-12(3-5-13)17(6-1-7-17)11-20-16(23)21-8-9-24-14(10-21)15(19)22/h2-5,14H,1,6-11H2,(H2,19,22)(H,20,23)
InChIKeyWGJAQOLLEMVXHY-UHFFFAOYSA-N
XLogP1.14
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-2,4-dicarboxamide?
The IUPAC name of 4-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-2,4-dicarboxamide (CID 71934725) is 4-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-2,4-dicarboxamide?
The canonical SMILES for 4-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-2,4-dicarboxamide is NC(=O)C1CN(C(=O)NCC2(c3ccc(F)cc3)CCC2)CCO1.
What is the InChIKey of 4-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-2,4-dicarboxamide?
The InChIKey is WGJAQOLLEMVXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O3/c18-13-4-2-12(3-5-13)17(6-1-7-17)11-20-16(23)21-8-9-24-14(10-21)15(19)22/h2-5,14H,1,6-11H2,(H2,19,22)(H,20,23).
What are the key properties of 4-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-2,4-dicarboxamide?
4-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-2,4-dicarboxamide has a molecular weight of 335.38 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-2,4-dicarboxamide is sourced from PubChem (CID 71934725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).