3-[2-(4-fluorophenoxy)ethyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea

C22H23FN2O3 — CID 46596303

IUPAC3-[2-(4-fluorophenoxy)ethyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea
SMILESCOc1ccc2cc(CN(C)C(=O)NCCOc3ccc(F)cc3)ccc2c1
InChIInChI=1S/C22H23FN2O3/c1-25(22(26)24-11-12-28-20-9-6-19(23)7-10-20)15-16-3-4-18-14-21(27-2)8-5-17(18)13-16/h3-10,13-14H,11-12,15H2,1-2H3,(H,24,26)
InChIKeyXEKFRTRLNSUOFQ-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.21
Rot. Bonds7

About 3-[2-(4-fluorophenoxy)ethyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea

3-[2-(4-fluorophenoxy)ethyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea (PubChem CID 46596303) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is 3-[2-(4-fluorophenoxy)ethyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[2-(4-fluorophenoxy)ethyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea
PubChem CID46596303
Molecular FormulaC22H23FN2O3
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC Name3-[2-(4-fluorophenoxy)ethyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea
SMILESCOc1ccc2cc(CN(C)C(=O)NCCOc3ccc(F)cc3)ccc2c1
InChIInChI=1S/C22H23FN2O3/c1-25(22(26)24-11-12-28-20-9-6-19(23)7-10-20)15-16-3-4-18-14-21(27-2)8-5-17(18)13-16/h3-10,13-14H,11-12,15H2,1-2H3,(H,24,26)
InChIKeyXEKFRTRLNSUOFQ-UHFFFAOYSA-N
XLogP4.21
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-[4-(4-fluorophenoxy)butyl]-1-methylurea
CID 33402548
1-benzyl-3-[4-(4-fluorophenoxy)butyl]-1-methylurea
CID 33403769
N-[2-(4-fluorophenyl)ethyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 18088830
3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-N,N-dimethylpropanamide
CID 87007745
1-butyl-3-[2-(4-methoxyphenoxy)ethyl]-1-methylurea
CID 108990542
(2R)-N-[(4-fluorophenyl)methyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanamide
CID 41375901
3-[[2-(methoxymethyl)phenyl]methyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea
CID 46594171
2-hydroxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 115140024
2-(3-fluorophenoxy)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 9482694
3-(4-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 8935418
(2R)-2-(4-fluorophenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 31882368
2-ethoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 18116979

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenoxy)ethyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea?
The IUPAC name of 3-[2-(4-fluorophenoxy)ethyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea (CID 46596303) is 3-[2-(4-fluorophenoxy)ethyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea.
What is the SMILES notation for 3-[2-(4-fluorophenoxy)ethyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea?
The canonical SMILES for 3-[2-(4-fluorophenoxy)ethyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea is COc1ccc2cc(CN(C)C(=O)NCCOc3ccc(F)cc3)ccc2c1.
What is the InChIKey of 3-[2-(4-fluorophenoxy)ethyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea?
The InChIKey is XEKFRTRLNSUOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3/c1-25(22(26)24-11-12-28-20-9-6-19(23)7-10-20)15-16-3-4-18-14-21(27-2)8-5-17(18)13-16/h3-10,13-14H,11-12,15H2,1-2H3,(H,24,26).
What are the key properties of 3-[2-(4-fluorophenoxy)ethyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea?
3-[2-(4-fluorophenoxy)ethyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea has a molecular weight of 382.44 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenoxy)ethyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea is sourced from PubChem (CID 46596303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).