4-cyclohexylbutyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate

C24H29FN2O4 — CID 15981350

IUPAC4-cyclohexylbutyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate
SMILESO=C(COc1ccc(C(=O)Nc2ccc(F)cc2)cn1)OCCCCC1CCCCC1
InChIInChI=1S/C24H29FN2O4/c25-20-10-12-21(13-11-20)27-24(29)19-9-14-22(26-16-19)31-17-23(28)30-15-5-4-8-18-6-2-1-3-7-18/h9-14,16,18H,1-8,15,17H2,(H,27,29)
InChIKeyKCIRBTXGALUYHT-UHFFFAOYSA-N
MW428.50 g/mol
LogP5.15
Rot. Bonds10

About 4-cyclohexylbutyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate

4-cyclohexylbutyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate (PubChem CID 15981350) has the molecular formula C24H29FN2O4 and a molecular weight of 428.50 g/mol. Its IUPAC name is 4-cyclohexylbutyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate.

Molecular Properties

Compound Name4-cyclohexylbutyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate
PubChem CID15981350
Molecular FormulaC24H29FN2O4
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC Name4-cyclohexylbutyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate
SMILESO=C(COc1ccc(C(=O)Nc2ccc(F)cc2)cn1)OCCCCC1CCCCC1
InChIInChI=1S/C24H29FN2O4/c25-20-10-12-21(13-11-20)27-24(29)19-9-14-22(26-16-19)31-17-23(28)30-15-5-4-8-18-6-2-1-3-7-18/h9-14,16,18H,1-8,15,17H2,(H,27,29)
InChIKeyKCIRBTXGALUYHT-UHFFFAOYSA-N
XLogP5.15
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.50
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylbutyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate?
The IUPAC name of 4-cyclohexylbutyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate (CID 15981350) is 4-cyclohexylbutyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate.
What is the SMILES notation for 4-cyclohexylbutyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate?
The canonical SMILES for 4-cyclohexylbutyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate is O=C(COc1ccc(C(=O)Nc2ccc(F)cc2)cn1)OCCCCC1CCCCC1.
What is the InChIKey of 4-cyclohexylbutyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate?
The InChIKey is KCIRBTXGALUYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O4/c25-20-10-12-21(13-11-20)27-24(29)19-9-14-22(26-16-19)31-17-23(28)30-15-5-4-8-18-6-2-1-3-7-18/h9-14,16,18H,1-8,15,17H2,(H,27,29).
What are the key properties of 4-cyclohexylbutyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate?
4-cyclohexylbutyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate has a molecular weight of 428.50 g/mol, XLogP of 5.15, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylbutyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate is sourced from PubChem (CID 15981350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).