3-[(2-methoxyphenyl)methyl]-1-methyl-1-(2-phenoxyethyl)urea

C18H22N2O3 — CID 38147914

IUPAC3-[(2-methoxyphenyl)methyl]-1-methyl-1-(2-phenoxyethyl)urea
SMILESCOc1ccccc1CNC(=O)N(C)CCOc1ccccc1
InChIInChI=1S/C18H22N2O3/c1-20(12-13-23-16-9-4-3-5-10-16)18(21)19-14-15-8-6-7-11-17(15)22-2/h3-11H,12-14H2,1-2H3,(H,19,21)
InChIKeyUQLQDHSGAJQSKP-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.92
Rot. Bonds7

About 3-[(2-methoxyphenyl)methyl]-1-methyl-1-(2-phenoxyethyl)urea

3-[(2-methoxyphenyl)methyl]-1-methyl-1-(2-phenoxyethyl)urea (PubChem CID 38147914) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl]-1-methyl-1-(2-phenoxyethyl)urea.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl]-1-methyl-1-(2-phenoxyethyl)urea
PubChem CID38147914
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name3-[(2-methoxyphenyl)methyl]-1-methyl-1-(2-phenoxyethyl)urea
SMILESCOc1ccccc1CNC(=O)N(C)CCOc1ccccc1
InChIInChI=1S/C18H22N2O3/c1-20(12-13-23-16-9-4-3-5-10-16)18(21)19-14-15-8-6-7-11-17(15)22-2/h3-11H,12-14H2,1-2H3,(H,19,21)
InChIKeyUQLQDHSGAJQSKP-UHFFFAOYSA-N
XLogP2.92
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2-methoxyphenyl)methyl]-1-methyl-1-(2-phenoxyethyl)urea 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

N-[(2-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26734453
1-methyl-3-[(4-methylphenyl)methyl]-1-(2-phenoxyethyl)urea
CID 27517654
N-[(2-methoxyphenyl)methyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 41416179
1-methyl-1-(2-phenoxyethyl)-3-(thiophen-2-ylmethyl)urea
CID 134056756
N-[(2-methoxyphenyl)methyl]-2-(4-phenoxyphenoxy)acetamide
CID 7610854
3-benzyl-1-methyl-1-[2-(4-methylphenoxy)ethyl]urea
CID 27533745
3-[(2-ethoxyphenyl)methyl]-1-(3-methoxypropyl)-1-methylurea
CID 86850576
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797600
3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-(2-phenoxyethyl)urea
CID 27516330
3-[2-(2-methoxyphenyl)ethyl]-1,2-dimethyl-1-(2-phenoxyethyl)guanidine;hydroiodide
CID 111274446
2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 41416148
3-[methyl-[(2-prop-2-enoxyphenyl)methylcarbamoyl]amino]propanoic acid
CID 122001720

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl]-1-methyl-1-(2-phenoxyethyl)urea?
The IUPAC name of 3-[(2-methoxyphenyl)methyl]-1-methyl-1-(2-phenoxyethyl)urea (CID 38147914) is 3-[(2-methoxyphenyl)methyl]-1-methyl-1-(2-phenoxyethyl)urea.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl]-1-methyl-1-(2-phenoxyethyl)urea?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl]-1-methyl-1-(2-phenoxyethyl)urea is COc1ccccc1CNC(=O)N(C)CCOc1ccccc1.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl]-1-methyl-1-(2-phenoxyethyl)urea?
The InChIKey is UQLQDHSGAJQSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-20(12-13-23-16-9-4-3-5-10-16)18(21)19-14-15-8-6-7-11-17(15)22-2/h3-11H,12-14H2,1-2H3,(H,19,21).
What are the key properties of 3-[(2-methoxyphenyl)methyl]-1-methyl-1-(2-phenoxyethyl)urea?
3-[(2-methoxyphenyl)methyl]-1-methyl-1-(2-phenoxyethyl)urea has a molecular weight of 314.39 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methyl]-1-methyl-1-(2-phenoxyethyl)urea is sourced from PubChem (CID 38147914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).