N,N-dicyclohexyl-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide

C24H33FN2O3 — CID 90512369

IUPACN,N-dicyclohexyl-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
SMILESO=C(COc1ccccc1F)N1CC(C(=O)N(C2CCCCC2)C2CCCCC2)C1
InChIInChI=1S/C24H33FN2O3/c25-21-13-7-8-14-22(21)30-17-23(28)26-15-18(16-26)24(29)27(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h7-8,13-14,18-20H,1-6,9-12,15-17H2
InChIKeyWKQUENMDMGJVGY-UHFFFAOYSA-N
MW416.54 g/mol
LogP4.16
Rot. Bonds6

About N,N-dicyclohexyl-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide

N,N-dicyclohexyl-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide (PubChem CID 90512369) has the molecular formula C24H33FN2O3 and a molecular weight of 416.54 g/mol. Its IUPAC name is N,N-dicyclohexyl-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
PubChem CID90512369
Molecular FormulaC24H33FN2O3
Molecular Weight416.54 g/mol
Exact Mass416.25
IUPAC NameN,N-dicyclohexyl-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
SMILESO=C(COc1ccccc1F)N1CC(C(=O)N(C2CCCCC2)C2CCCCC2)C1
InChIInChI=1S/C24H33FN2O3/c25-21-13-7-8-14-22(21)30-17-23(28)26-15-18(16-26)24(29)27(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h7-8,13-14,18-20H,1-6,9-12,15-17H2
InChIKeyWKQUENMDMGJVGY-UHFFFAOYSA-N
XLogP4.16
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide?
The IUPAC name of N,N-dicyclohexyl-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide (CID 90512369) is N,N-dicyclohexyl-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide.
What is the SMILES notation for N,N-dicyclohexyl-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide?
The canonical SMILES for N,N-dicyclohexyl-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide is O=C(COc1ccccc1F)N1CC(C(=O)N(C2CCCCC2)C2CCCCC2)C1.
What is the InChIKey of N,N-dicyclohexyl-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide?
The InChIKey is WKQUENMDMGJVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN2O3/c25-21-13-7-8-14-22(21)30-17-23(28)26-15-18(16-26)24(29)27(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h7-8,13-14,18-20H,1-6,9-12,15-17H2.
What are the key properties of N,N-dicyclohexyl-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide?
N,N-dicyclohexyl-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide has a molecular weight of 416.54 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide is sourced from PubChem (CID 90512369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).