1-[2-(4-ethylphenoxy)ethyl]-3-[(2-methoxyphenyl)methyl]urea

C19H24N2O3 — CID 112972032

IUPAC1-[2-(4-ethylphenoxy)ethyl]-3-[(2-methoxyphenyl)methyl]urea
SMILESCCc1ccc(OCCNC(=O)NCc2ccccc2OC)cc1
InChIInChI=1S/C19H24N2O3/c1-3-15-8-10-17(11-9-15)24-13-12-20-19(22)21-14-16-6-4-5-7-18(16)23-2/h4-11H,3,12-14H2,1-2H3,(H2,20,21,22)
InChIKeyFTEVYHYEXDZRCF-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.14
Rot. Bonds8

About 1-[2-(4-ethylphenoxy)ethyl]-3-[(2-methoxyphenyl)methyl]urea

1-[2-(4-ethylphenoxy)ethyl]-3-[(2-methoxyphenyl)methyl]urea (PubChem CID 112972032) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[2-(4-ethylphenoxy)ethyl]-3-[(2-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(4-ethylphenoxy)ethyl]-3-[(2-methoxyphenyl)methyl]urea
PubChem CID112972032
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-[2-(4-ethylphenoxy)ethyl]-3-[(2-methoxyphenyl)methyl]urea
SMILESCCc1ccc(OCCNC(=O)NCc2ccccc2OC)cc1
InChIInChI=1S/C19H24N2O3/c1-3-15-8-10-17(11-9-15)24-13-12-20-19(22)21-14-16-6-4-5-7-18(16)23-2/h4-11H,3,12-14H2,1-2H3,(H2,20,21,22)
InChIKeyFTEVYHYEXDZRCF-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-methoxyphenyl)methyl]-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
CID 112974871
1-[(2-methoxyphenyl)methyl]-3-propylurea
CID 94828368
1-[(2-methoxyphenyl)methyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974424
N-[2-(4-methoxyphenoxy)ethyl]-2-(2-methoxyphenyl)acetamide
CID 18119172
1-[(2-methoxyphenyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972214
1-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108897731
1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 38151032
1-[2-(2-ethylphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 112971672
1-[3-(2-chlorophenoxy)propyl]-3-[(2-methoxyphenyl)methyl]urea
CID 108883586
2-(4-ethylphenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26181298
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyethyl)urea
CID 38223348
2-(4-ethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 3647692

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylphenoxy)ethyl]-3-[(2-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[2-(4-ethylphenoxy)ethyl]-3-[(2-methoxyphenyl)methyl]urea (CID 112972032) is 1-[2-(4-ethylphenoxy)ethyl]-3-[(2-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(4-ethylphenoxy)ethyl]-3-[(2-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[2-(4-ethylphenoxy)ethyl]-3-[(2-methoxyphenyl)methyl]urea is CCc1ccc(OCCNC(=O)NCc2ccccc2OC)cc1.
What is the InChIKey of 1-[2-(4-ethylphenoxy)ethyl]-3-[(2-methoxyphenyl)methyl]urea?
The InChIKey is FTEVYHYEXDZRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-3-15-8-10-17(11-9-15)24-13-12-20-19(22)21-14-16-6-4-5-7-18(16)23-2/h4-11H,3,12-14H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[2-(4-ethylphenoxy)ethyl]-3-[(2-methoxyphenyl)methyl]urea?
1-[2-(4-ethylphenoxy)ethyl]-3-[(2-methoxyphenyl)methyl]urea has a molecular weight of 328.41 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenoxy)ethyl]-3-[(2-methoxyphenyl)methyl]urea is sourced from PubChem (CID 112972032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).