3-[[2-(ethoxymethyl)phenyl]methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea

C20H26N2O3 — CID 35628426

IUPAC3-[[2-(ethoxymethyl)phenyl]methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
SMILESCCOCc1ccccc1CNC(=O)N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C20H26N2O3/c1-4-25-15-18-8-6-5-7-17(18)13-21-20(23)22(2)14-16-9-11-19(24-3)12-10-16/h5-12H,4,13-15H2,1-3H3,(H,21,23)
InChIKeyVNNYVJYRANOPBR-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.57
Rot. Bonds8

About 3-[[2-(ethoxymethyl)phenyl]methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea

3-[[2-(ethoxymethyl)phenyl]methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea (PubChem CID 35628426) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-[[2-(ethoxymethyl)phenyl]methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[[2-(ethoxymethyl)phenyl]methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
PubChem CID35628426
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name3-[[2-(ethoxymethyl)phenyl]methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
SMILESCCOCc1ccccc1CNC(=O)N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C20H26N2O3/c1-4-25-15-18-8-6-5-7-17(18)13-21-20(23)22(2)14-16-9-11-19(24-3)12-10-16/h5-12H,4,13-15H2,1-3H3,(H,21,23)
InChIKeyVNNYVJYRANOPBR-UHFFFAOYSA-N
XLogP3.57
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(ethoxymethyl)phenyl]methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-(methoxymethyl)phenyl]methyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea
CID 46594171
3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-N,N-dimethylpropanamide
CID 87007745
N,N-diethyl-4-[[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide
CID 55795743
3-[[2-(diethylaminomethyl)phenyl]methyl]-1-[(4-ethylphenyl)methyl]-1-methylurea
CID 52570254
1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea
CID 115575178
3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 55795149
1-[(2,4-dimethoxyphenyl)methyl]-3-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dimethylguanidine;hydroiodide
CID 111297032
3-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-[(4-methoxyphenyl)methyl]-1,2-dimethylguanidine;hydroiodide
CID 111272176
3-[(3-methoxyphenyl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea
CID 86999385
1-[(3-methoxyphenyl)methyl]-1-methyl-3-[[2-(methylsulfamoylmethyl)phenyl]methyl]urea
CID 9266277
3-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 48962776
1-[(4-bromophenyl)methyl]-3-[(2-fluorophenyl)methyl]-1-methylurea
CID 38945216

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethoxymethyl)phenyl]methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea?
The IUPAC name of 3-[[2-(ethoxymethyl)phenyl]methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea (CID 35628426) is 3-[[2-(ethoxymethyl)phenyl]methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea.
What is the SMILES notation for 3-[[2-(ethoxymethyl)phenyl]methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea?
The canonical SMILES for 3-[[2-(ethoxymethyl)phenyl]methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea is CCOCc1ccccc1CNC(=O)N(C)Cc1ccc(OC)cc1.
What is the InChIKey of 3-[[2-(ethoxymethyl)phenyl]methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea?
The InChIKey is VNNYVJYRANOPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-4-25-15-18-8-6-5-7-17(18)13-21-20(23)22(2)14-16-9-11-19(24-3)12-10-16/h5-12H,4,13-15H2,1-3H3,(H,21,23).
What are the key properties of 3-[[2-(ethoxymethyl)phenyl]methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea?
3-[[2-(ethoxymethyl)phenyl]methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea has a molecular weight of 342.44 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethoxymethyl)phenyl]methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea is sourced from PubChem (CID 35628426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).