1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea

C21H28N2O4 — CID 112974607

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
SMILESCOc1ccc(OCCNC(=O)NCCOc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C21H28N2O4/c1-15-13-16(2)20(17(3)14-15)27-12-10-23-21(24)22-9-11-26-19-7-5-18(25-4)6-8-19/h5-8,13-14H,9-12H2,1-4H3,(H2,22,23,24)
InChIKeyOZFUVEXRSDOBOA-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.38
Rot. Bonds9

About 1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea

1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea (PubChem CID 112974607) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
PubChem CID112974607
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
SMILESCOc1ccc(OCCNC(=O)NCCOc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C21H28N2O4/c1-15-13-16(2)20(17(3)14-15)27-12-10-23-21(24)22-9-11-26-19-7-5-18(25-4)6-8-19/h5-8,13-14H,9-12H2,1-4H3,(H2,22,23,24)
InChIKeyOZFUVEXRSDOBOA-UHFFFAOYSA-N
XLogP3.38
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,5-dimethylphenoxy)ethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 112973495
1-propyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974537
1-(2,5-dimethylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108990551
1-[2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970038
1-[2-(dimethylamino)ethyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974554
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea
CID 51244378
1-[2-(3,4-dimethylphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 112974093
2-(4-methoxyphenoxy)-N'-[2-(2,4,6-trimethylphenoxy)acetyl]acetohydrazide
CID 2479123
4-[2-(4-methoxyphenoxy)ethylcarbamoylamino]butanoic acid
CID 28511511
1-(3-bromo-4-methylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108990571
1-[3-(dimethylamino)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108988343
methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate
CID 84578757

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea (CID 112974607) is 1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea is COc1ccc(OCCNC(=O)NCCOc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea?
The InChIKey is OZFUVEXRSDOBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-15-13-16(2)20(17(3)14-15)27-12-10-23-21(24)22-9-11-26-19-7-5-18(25-4)6-8-19/h5-8,13-14H,9-12H2,1-4H3,(H2,22,23,24).
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea?
1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea has a molecular weight of 372.47 g/mol, XLogP of 3.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea is sourced from PubChem (CID 112974607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).