1-[(4-ethoxyphenoxy)methyl]-3-[2-(4-methylphenyl)ethyl]urea

C19H24N2O3 — CID 108890945

IUPAC1-[(4-ethoxyphenoxy)methyl]-3-[2-(4-methylphenyl)ethyl]urea
SMILESCCOc1ccc(OCNC(=O)NCCc2ccc(C)cc2)cc1
InChIInChI=1S/C19H24N2O3/c1-3-23-17-8-10-18(11-9-17)24-14-21-19(22)20-13-12-16-6-4-15(2)5-7-16/h4-11H,3,12-14H2,1-2H3,(H2,20,21,22)
InChIKeyZKJOGYGEFSWMHL-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.27
Rot. Bonds8

About 1-[(4-ethoxyphenoxy)methyl]-3-[2-(4-methylphenyl)ethyl]urea

1-[(4-ethoxyphenoxy)methyl]-3-[2-(4-methylphenyl)ethyl]urea (PubChem CID 108890945) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[(4-ethoxyphenoxy)methyl]-3-[2-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(4-ethoxyphenoxy)methyl]-3-[2-(4-methylphenyl)ethyl]urea
PubChem CID108890945
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-[(4-ethoxyphenoxy)methyl]-3-[2-(4-methylphenyl)ethyl]urea
SMILESCCOc1ccc(OCNC(=O)NCCc2ccc(C)cc2)cc1
InChIInChI=1S/C19H24N2O3/c1-3-23-17-8-10-18(11-9-17)24-14-21-19(22)20-13-12-16-6-4-15(2)5-7-16/h4-11H,3,12-14H2,1-2H3,(H2,20,21,22)
InChIKeyZKJOGYGEFSWMHL-UHFFFAOYSA-N
XLogP3.27
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(4-ethoxyphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108884612
1-[2-(4-fluorophenyl)ethyl]-3-[(4-methylphenoxy)methyl]urea
CID 108893063
1-[2-(4-methylphenyl)ethyl]-3-[(2,3,6-trimethylphenoxy)methyl]urea
CID 108880426
1-[(4-chlorophenoxy)methyl]-3-[2-(4-chlorophenyl)ethyl]urea
CID 108885405
1-[(4-ethoxyphenoxy)methyl]-3-(4-phenylbutyl)urea
CID 108890956
1-(2-chloroethyl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890702
1-[2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970038
1-[2-(4-bromophenyl)ethyl]-3-[(4-ethoxyphenyl)methyl]urea
CID 108884614
1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3856338
1-(3-chloropropyl)-3-[(4-methylphenoxy)methyl]urea
CID 108892893
ethyl 2-[(4-methylphenoxy)methylcarbamoylamino]acetate
CID 108893109
ethyl 4-[[(4-methylphenoxy)methylcarbamoylamino]methyl]benzoate
CID 108893112

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenoxy)methyl]-3-[2-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1-[(4-ethoxyphenoxy)methyl]-3-[2-(4-methylphenyl)ethyl]urea (CID 108890945) is 1-[(4-ethoxyphenoxy)methyl]-3-[2-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-[(4-ethoxyphenoxy)methyl]-3-[2-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-[(4-ethoxyphenoxy)methyl]-3-[2-(4-methylphenyl)ethyl]urea is CCOc1ccc(OCNC(=O)NCCc2ccc(C)cc2)cc1.
What is the InChIKey of 1-[(4-ethoxyphenoxy)methyl]-3-[2-(4-methylphenyl)ethyl]urea?
The InChIKey is ZKJOGYGEFSWMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-3-23-17-8-10-18(11-9-17)24-14-21-19(22)20-13-12-16-6-4-15(2)5-7-16/h4-11H,3,12-14H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[(4-ethoxyphenoxy)methyl]-3-[2-(4-methylphenyl)ethyl]urea?
1-[(4-ethoxyphenoxy)methyl]-3-[2-(4-methylphenyl)ethyl]urea has a molecular weight of 328.41 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenoxy)methyl]-3-[2-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 108890945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).