1-[(4-fluorophenyl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea

C16H23FN2O2 — CID 71918772

IUPAC1-[(4-fluorophenyl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea
SMILESCOCCC1(CNC(=O)NCc2ccc(F)cc2)CCC1
InChIInChI=1S/C16H23FN2O2/c1-21-10-9-16(7-2-8-16)12-19-15(20)18-11-13-3-5-14(17)6-4-13/h3-6H,2,7-12H2,1H3,(H2,18,19,20)
InChIKeyNVZVJUFQKMRWGU-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.83
Rot. Bonds7

About 1-[(4-fluorophenyl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea

1-[(4-fluorophenyl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea (PubChem CID 71918772) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea
PubChem CID71918772
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea
SMILESCOCCC1(CNC(=O)NCc2ccc(F)cc2)CCC1
InChIInChI=1S/C16H23FN2O2/c1-21-10-9-16(7-2-8-16)12-19-15(20)18-11-13-3-5-14(17)6-4-13/h3-6H,2,7-12H2,1H3,(H2,18,19,20)
InChIKeyNVZVJUFQKMRWGU-UHFFFAOYSA-N
XLogP2.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(4-fluorophenyl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea with MolForge

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Related Compounds

N-[[1-[(4-fluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine
CID 62723780
3-[[1-(2-methoxyethyl)cyclohexyl]methylcarbamoylamino]propanoic acid
CID 122010715
1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-4-methoxy-2-methylbutyl)urea
CID 134161141
1-[(4-fluorophenyl)methyl]-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214597
2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]benzamide
CID 119945992
1-[(4-fluorophenyl)methyl]-3-pentylurea
CID 38154712
N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 78908414
4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 104694588
1-[(4-fluorophenyl)methyl]-3-[(3-methoxythiolan-3-yl)methyl]urea
CID 90584515
(3S)-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methyl-6-oxopiperidine-3-carboxamide
CID 124740444
3-[(4-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea
CID 44756384
4-[[[1-(hydroxymethyl)cyclobutyl]methylcarbamoylamino]methyl]benzoic acid
CID 122020828

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea (CID 71918772) is 1-[(4-fluorophenyl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea is COCCC1(CNC(=O)NCc2ccc(F)cc2)CCC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea?
The InChIKey is NVZVJUFQKMRWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-21-10-9-16(7-2-8-16)12-19-15(20)18-11-13-3-5-14(17)6-4-13/h3-6H,2,7-12H2,1H3,(H2,18,19,20).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea?
1-[(4-fluorophenyl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea has a molecular weight of 294.37 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea is sourced from PubChem (CID 71918772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).