1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[2-(2-methylcyclohexyl)oxyethyl]urea

C19H29FN2O3 — CID 55808705

IUPAC1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[2-(2-methylcyclohexyl)oxyethyl]urea
SMILESCC1CCCCC1OCCNC(=O)N(C)CCOc1ccc(F)cc1
InChIInChI=1S/C19H29FN2O3/c1-15-5-3-4-6-18(15)25-13-11-21-19(23)22(2)12-14-24-17-9-7-16(20)8-10-17/h7-10,15,18H,3-6,11-14H2,1-2H3,(H,21,23)
InChIKeyPAAZLZYZEKCFES-UHFFFAOYSA-N
MW352.45 g/mol
LogP3.44
Rot. Bonds8

About 1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[2-(2-methylcyclohexyl)oxyethyl]urea

1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[2-(2-methylcyclohexyl)oxyethyl]urea (PubChem CID 55808705) has the molecular formula C19H29FN2O3 and a molecular weight of 352.45 g/mol. Its IUPAC name is 1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[2-(2-methylcyclohexyl)oxyethyl]urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[2-(2-methylcyclohexyl)oxyethyl]urea
PubChem CID55808705
Molecular FormulaC19H29FN2O3
Molecular Weight352.45 g/mol
Exact Mass352.22
IUPAC Name1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[2-(2-methylcyclohexyl)oxyethyl]urea
SMILESCC1CCCCC1OCCNC(=O)N(C)CCOc1ccc(F)cc1
InChIInChI=1S/C19H29FN2O3/c1-15-5-3-4-6-18(15)25-13-11-21-19(23)22(2)12-14-24-17-9-7-16(20)8-10-17/h7-10,15,18H,3-6,11-14H2,1-2H3,(H,21,23)
InChIKeyPAAZLZYZEKCFES-UHFFFAOYSA-N
XLogP3.44
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 53.44
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-methyl-3-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-1-(2-pyrazol-1-ylethyl)urea
CID 95622064
1-methyl-3-[2-(2-methylcyclohexyl)oxyethyl]-1-[(1-methylpiperidin-4-yl)methyl]urea
CID 56825722
1-methyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 129421266
3-cyclohexyl-1-[2-(4-fluorophenoxy)ethyl]-1-methylthiourea
CID 9241354
N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 60711684
1-(2-fluorophenyl)-3-[2-(2-methylcyclohexyl)oxyethyl]urea
CID 47034705
N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119695325
6-(dimethylamino)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]pyridine-3-carboxamide
CID 94131649
N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119274354
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]urea
CID 95291672
6-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]-2,3-dihydroindole-1-carboxamide
CID 56800301
1-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylurea
CID 47034652

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[2-(2-methylcyclohexyl)oxyethyl]urea?
The IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[2-(2-methylcyclohexyl)oxyethyl]urea (CID 55808705) is 1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[2-(2-methylcyclohexyl)oxyethyl]urea.
What is the SMILES notation for 1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[2-(2-methylcyclohexyl)oxyethyl]urea?
The canonical SMILES for 1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[2-(2-methylcyclohexyl)oxyethyl]urea is CC1CCCCC1OCCNC(=O)N(C)CCOc1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[2-(2-methylcyclohexyl)oxyethyl]urea?
The InChIKey is PAAZLZYZEKCFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O3/c1-15-5-3-4-6-18(15)25-13-11-21-19(23)22(2)12-14-24-17-9-7-16(20)8-10-17/h7-10,15,18H,3-6,11-14H2,1-2H3,(H,21,23).
What are the key properties of 1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[2-(2-methylcyclohexyl)oxyethyl]urea?
1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[2-(2-methylcyclohexyl)oxyethyl]urea has a molecular weight of 352.45 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[2-(2-methylcyclohexyl)oxyethyl]urea is sourced from PubChem (CID 55808705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).