1-[(2-methoxyphenyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea

C20H26N2O3 — CID 112972214

IUPAC1-[(2-methoxyphenyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
SMILESCOc1ccccc1CNC(=O)NCCOc1ccccc1C(C)C
InChIInChI=1S/C20H26N2O3/c1-15(2)17-9-5-7-11-19(17)25-13-12-21-20(23)22-14-16-8-4-6-10-18(16)24-3/h4-11,15H,12-14H2,1-3H3,(H2,21,22,23)
InChIKeyDXPATILDIRMMGV-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.70
Rot. Bonds8

About 1-[(2-methoxyphenyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea

1-[(2-methoxyphenyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea (PubChem CID 112972214) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
PubChem CID112972214
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-[(2-methoxyphenyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
SMILESCOc1ccccc1CNC(=O)NCCOc1ccccc1C(C)C
InChIInChI=1S/C20H26N2O3/c1-15(2)17-9-5-7-11-19(17)25-13-12-21-20(23)22-14-16-8-4-6-10-18(16)24-3/h4-11,15H,12-14H2,1-3H3,(H2,21,22,23)
InChIKeyDXPATILDIRMMGV-UHFFFAOYSA-N
XLogP3.70
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.70
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-(hydroxymethyl)phenyl]methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 111435144
1-[(2-methoxyphenyl)methyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974424
1-[3-(2-chlorophenoxy)propyl]-3-[(2-methoxyphenyl)methyl]urea
CID 108883586
4-[2-(2-propan-2-ylphenoxy)ethylcarbamoylamino]butanoic acid
CID 122001770
1-[3-(dimethylamino)propyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972198
1-[(2-methoxyphenyl)methyl]-3-propylurea
CID 94828368
1-[2-(4-ethylphenoxy)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 112972032
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide
CID 113099759
1-(2-fluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972279
3,4-dimethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]benzamide
CID 99099115
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 23548352
1-[2-(2-ethylphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 112971672

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea (CID 112972214) is 1-[(2-methoxyphenyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea is COc1ccccc1CNC(=O)NCCOc1ccccc1C(C)C.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea?
The InChIKey is DXPATILDIRMMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-15(2)17-9-5-7-11-19(17)25-13-12-21-20(23)22-14-16-8-4-6-10-18(16)24-3/h4-11,15H,12-14H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-[(2-methoxyphenyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea?
1-[(2-methoxyphenyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea has a molecular weight of 342.44 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea is sourced from PubChem (CID 112972214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).