1-[4-(diethylamino)-2-methylphenyl]-3-[2-(4-fluorophenoxy)ethyl]urea

C20H26FN3O2 — CID 112970527

IUPAC1-[4-(diethylamino)-2-methylphenyl]-3-[2-(4-fluorophenoxy)ethyl]urea
SMILESCCN(CC)c1ccc(NC(=O)NCCOc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C20H26FN3O2/c1-4-24(5-2)17-8-11-19(15(3)14-17)23-20(25)22-12-13-26-18-9-6-16(21)7-10-18/h6-11,14H,4-5,12-13H2,1-3H3,(H2,22,23,25)
InChIKeyZGTFORFRXMYNSF-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.18
Rot. Bonds8

About 1-[4-(diethylamino)-2-methylphenyl]-3-[2-(4-fluorophenoxy)ethyl]urea

1-[4-(diethylamino)-2-methylphenyl]-3-[2-(4-fluorophenoxy)ethyl]urea (PubChem CID 112970527) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is 1-[4-(diethylamino)-2-methylphenyl]-3-[2-(4-fluorophenoxy)ethyl]urea.

Molecular Properties

Compound Name1-[4-(diethylamino)-2-methylphenyl]-3-[2-(4-fluorophenoxy)ethyl]urea
PubChem CID112970527
Molecular FormulaC20H26FN3O2
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC Name1-[4-(diethylamino)-2-methylphenyl]-3-[2-(4-fluorophenoxy)ethyl]urea
SMILESCCN(CC)c1ccc(NC(=O)NCCOc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C20H26FN3O2/c1-4-24(5-2)17-8-11-19(15(3)14-17)23-20(25)22-12-13-26-18-9-6-16(21)7-10-18/h6-11,14H,4-5,12-13H2,1-3H3,(H2,22,23,25)
InChIKeyZGTFORFRXMYNSF-UHFFFAOYSA-N
XLogP4.18
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(diethylamino)-2-methylphenyl]-3-(2-phenoxyethyl)urea chloride
CID 108887125
1-[4-(diethylamino)-2-methylphenyl]-3-[3-(4-methylphenoxy)propyl]urea chloride
CID 108881458
1-(2,4-dimethylphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970080
1-[4-(diethylamino)-2-methylphenyl]-3-dodecylurea
CID 20826590
1-[4-(diethylamino)-2-methylphenyl]-3-[(2,3,6-trimethylphenoxy)methyl]urea
CID 108880371
1-[4-(diethylamino)-2-methylphenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868243
1-(2,4-dimethylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972093
1-[4-(diethylamino)phenyl]-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970404
1-[2-(4-chlorophenoxy)ethyl]-3-(2,4-dimethylphenyl)urea
CID 52590780
1-[2-(4-bromophenyl)ethyl]-3-[4-(diethylamino)-2-methylphenyl]urea
CID 108902455
1-(4-butoxy-2-methylphenyl)-3-[(4-fluorophenyl)methyl]urea
CID 60554481
1-(4-bromo-2-methylphenyl)-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970416

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)-2-methylphenyl]-3-[2-(4-fluorophenoxy)ethyl]urea?
The IUPAC name of 1-[4-(diethylamino)-2-methylphenyl]-3-[2-(4-fluorophenoxy)ethyl]urea (CID 112970527) is 1-[4-(diethylamino)-2-methylphenyl]-3-[2-(4-fluorophenoxy)ethyl]urea.
What is the SMILES notation for 1-[4-(diethylamino)-2-methylphenyl]-3-[2-(4-fluorophenoxy)ethyl]urea?
The canonical SMILES for 1-[4-(diethylamino)-2-methylphenyl]-3-[2-(4-fluorophenoxy)ethyl]urea is CCN(CC)c1ccc(NC(=O)NCCOc2ccc(F)cc2)c(C)c1.
What is the InChIKey of 1-[4-(diethylamino)-2-methylphenyl]-3-[2-(4-fluorophenoxy)ethyl]urea?
The InChIKey is ZGTFORFRXMYNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2/c1-4-24(5-2)17-8-11-19(15(3)14-17)23-20(25)22-12-13-26-18-9-6-16(21)7-10-18/h6-11,14H,4-5,12-13H2,1-3H3,(H2,22,23,25).
What are the key properties of 1-[4-(diethylamino)-2-methylphenyl]-3-[2-(4-fluorophenoxy)ethyl]urea?
1-[4-(diethylamino)-2-methylphenyl]-3-[2-(4-fluorophenoxy)ethyl]urea has a molecular weight of 359.45 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)-2-methylphenyl]-3-[2-(4-fluorophenoxy)ethyl]urea is sourced from PubChem (CID 112970527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).