N-[2-[3-[[4-(4-fluorophenyl)-3-methoxy-2-pyridinyl]oxymethyl]cyclobutyl]oxyethyl]acetamide

C21H25FN2O4 — CID 154946964

IUPACN-[2-[3-[[4-(4-fluorophenyl)-3-methoxy-2-pyridinyl]oxymethyl]cyclobutyl]oxyethyl]acetamide
SMILESCOc1c(-c2ccc(F)cc2)ccnc1OCC1CC(OCCNC(C)=O)C1
InChIInChI=1S/C21H25FN2O4/c1-14(25)23-9-10-27-18-11-15(12-18)13-28-21-20(26-2)19(7-8-24-21)16-3-5-17(22)6-4-16/h3-8,15,18H,9-13H2,1-2H3,(H,23,25)
InChIKeyYGCZMMIHUXZXGM-UHFFFAOYSA-N
MW388.44 g/mol
LogP3.21
Rot. Bonds9

About N-[2-[3-[[4-(4-fluorophenyl)-3-methoxy-2-pyridinyl]oxymethyl]cyclobutyl]oxyethyl]acetamide

N-[2-[3-[[4-(4-fluorophenyl)-3-methoxy-2-pyridinyl]oxymethyl]cyclobutyl]oxyethyl]acetamide (PubChem CID 154946964) has the molecular formula C21H25FN2O4 and a molecular weight of 388.44 g/mol. Its IUPAC name is N-[2-[3-[[4-(4-fluorophenyl)-3-methoxy-2-pyridinyl]oxymethyl]cyclobutyl]oxyethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-[[4-(4-fluorophenyl)-3-methoxy-2-pyridinyl]oxymethyl]cyclobutyl]oxyethyl]acetamide
PubChem CID154946964
Molecular FormulaC21H25FN2O4
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC NameN-[2-[3-[[4-(4-fluorophenyl)-3-methoxy-2-pyridinyl]oxymethyl]cyclobutyl]oxyethyl]acetamide
SMILESCOc1c(-c2ccc(F)cc2)ccnc1OCC1CC(OCCNC(C)=O)C1
InChIInChI=1S/C21H25FN2O4/c1-14(25)23-9-10-27-18-11-15(12-18)13-28-21-20(26-2)19(7-8-24-21)16-3-5-17(22)6-4-16/h3-8,15,18H,9-13H2,1-2H3,(H,23,25)
InChIKeyYGCZMMIHUXZXGM-UHFFFAOYSA-N
XLogP3.21
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 53.21
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 N-[2-[3-[[4-(4-fluorophenyl)-3-methoxy-2-pyridinyl]oxymethyl]cyclobutyl]oxyethyl]acetamide?
The IUPAC name of N-[2-[3-[[4-(4-fluorophenyl)-3-methoxy-2-pyridinyl]oxymethyl]cyclobutyl]oxyethyl]acetamide (CID 154946964) is N-[2-[3-[[4-(4-fluorophenyl)-3-methoxy-2-pyridinyl]oxymethyl]cyclobutyl]oxyethyl]acetamide.
What is the SMILES notation for N-[2-[3-[[4-(4-fluorophenyl)-3-methoxy-2-pyridinyl]oxymethyl]cyclobutyl]oxyethyl]acetamide?
The canonical SMILES for N-[2-[3-[[4-(4-fluorophenyl)-3-methoxy-2-pyridinyl]oxymethyl]cyclobutyl]oxyethyl]acetamide is COc1c(-c2ccc(F)cc2)ccnc1OCC1CC(OCCNC(C)=O)C1.
What is the InChIKey of N-[2-[3-[[4-(4-fluorophenyl)-3-methoxy-2-pyridinyl]oxymethyl]cyclobutyl]oxyethyl]acetamide?
The InChIKey is YGCZMMIHUXZXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O4/c1-14(25)23-9-10-27-18-11-15(12-18)13-28-21-20(26-2)19(7-8-24-21)16-3-5-17(22)6-4-16/h3-8,15,18H,9-13H2,1-2H3,(H,23,25).
What are the key properties of N-[2-[3-[[4-(4-fluorophenyl)-3-methoxy-2-pyridinyl]oxymethyl]cyclobutyl]oxyethyl]acetamide?
N-[2-[3-[[4-(4-fluorophenyl)-3-methoxy-2-pyridinyl]oxymethyl]cyclobutyl]oxyethyl]acetamide has a molecular weight of 388.44 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[[4-(4-fluorophenyl)-3-methoxy-2-pyridinyl]oxymethyl]cyclobutyl]oxyethyl]acetamide is sourced from PubChem (CID 154946964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).