1-(4-ethoxyphenyl)-3-[(2-methoxyphenoxy)methyl]urea

C17H20N2O4 — CID 108892159

IUPAC1-(4-ethoxyphenyl)-3-[(2-methoxyphenoxy)methyl]urea
SMILESCCOc1ccc(NC(=O)NCOc2ccccc2OC)cc1
InChIInChI=1S/C17H20N2O4/c1-3-22-14-10-8-13(9-11-14)19-17(20)18-12-23-16-7-5-4-6-15(16)21-2/h4-11H,3,12H2,1-2H3,(H2,18,19,20)
InChIKeyFYBVTBOOZWPKFJ-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.25
Rot. Bonds7

About 1-(4-ethoxyphenyl)-3-[(2-methoxyphenoxy)methyl]urea

1-(4-ethoxyphenyl)-3-[(2-methoxyphenoxy)methyl]urea (PubChem CID 108892159) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[(2-methoxyphenoxy)methyl]urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[(2-methoxyphenoxy)methyl]urea
PubChem CID108892159
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name1-(4-ethoxyphenyl)-3-[(2-methoxyphenoxy)methyl]urea
SMILESCCOc1ccc(NC(=O)NCOc2ccccc2OC)cc1
InChIInChI=1S/C17H20N2O4/c1-3-22-14-10-8-13(9-11-14)19-17(20)18-12-23-16-7-5-4-6-15(16)21-2/h4-11H,3,12H2,1-2H3,(H2,18,19,20)
InChIKeyFYBVTBOOZWPKFJ-UHFFFAOYSA-N
XLogP3.25
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(2-methoxyphenoxy)methylcarbamoylamino]phenyl]acetamide
CID 108892060
1-(4-ethylphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892216
1-(4-bromophenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892052
1-(4-tert-butylphenyl)-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877331
1-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890719
1-(4-butylphenyl)-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877128
1-[4-(diethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890846
1-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884279
N-(4-ethoxyphenyl)-2-(2-methoxyanilino)acetamide
CID 9080558
N-[4-(4-ethoxyphenoxy)phenyl]-2-methoxybenzamide
CID 7925290
1-(3,4-dimethoxyphenyl)-3-[(4-methylphenoxy)methyl]urea
CID 108892792
1-[(2-ethylphenoxy)methyl]-3-phenylurea
CID 108893317

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[(2-methoxyphenoxy)methyl]urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[(2-methoxyphenoxy)methyl]urea (CID 108892159) is 1-(4-ethoxyphenyl)-3-[(2-methoxyphenoxy)methyl]urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[(2-methoxyphenoxy)methyl]urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[(2-methoxyphenoxy)methyl]urea is CCOc1ccc(NC(=O)NCOc2ccccc2OC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[(2-methoxyphenoxy)methyl]urea?
The InChIKey is FYBVTBOOZWPKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-3-22-14-10-8-13(9-11-14)19-17(20)18-12-23-16-7-5-4-6-15(16)21-2/h4-11H,3,12H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(4-ethoxyphenyl)-3-[(2-methoxyphenoxy)methyl]urea?
1-(4-ethoxyphenyl)-3-[(2-methoxyphenoxy)methyl]urea has a molecular weight of 316.36 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[(2-methoxyphenoxy)methyl]urea is sourced from PubChem (CID 108892159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).