3-[2-(4-ethoxyphenoxy)-4-methylphenyl]-1-methoxy-1-methylurea

C18H22N2O4 — CID 88703244

IUPAC3-[2-(4-ethoxyphenoxy)-4-methylphenyl]-1-methoxy-1-methylurea
SMILESCCOc1ccc(Oc2cc(C)ccc2NC(=O)N(C)OC)cc1
InChIInChI=1S/C18H22N2O4/c1-5-23-14-7-9-15(10-8-14)24-17-12-13(2)6-11-16(17)19-18(21)20(3)22-4/h6-12H,5H2,1-4H3,(H,19,21)
InChIKeyRVQDOYBFJYSIFN-UHFFFAOYSA-N
MW330.38 g/mol
LogP4.21
Rot. Bonds6

About 3-[2-(4-ethoxyphenoxy)-4-methylphenyl]-1-methoxy-1-methylurea

3-[2-(4-ethoxyphenoxy)-4-methylphenyl]-1-methoxy-1-methylurea (PubChem CID 88703244) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-[2-(4-ethoxyphenoxy)-4-methylphenyl]-1-methoxy-1-methylurea.

Molecular Properties

Compound Name3-[2-(4-ethoxyphenoxy)-4-methylphenyl]-1-methoxy-1-methylurea
PubChem CID88703244
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name3-[2-(4-ethoxyphenoxy)-4-methylphenyl]-1-methoxy-1-methylurea
SMILESCCOc1ccc(Oc2cc(C)ccc2NC(=O)N(C)OC)cc1
InChIInChI=1S/C18H22N2O4/c1-5-23-14-7-9-15(10-8-14)24-17-12-13(2)6-11-16(17)19-18(21)20(3)22-4/h6-12H,5H2,1-4H3,(H,19,21)
InChIKeyRVQDOYBFJYSIFN-UHFFFAOYSA-N
XLogP4.21
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-ethoxy-4-methylphenyl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 111754678
N-methoxy-N-methyl-2-(4-methylphenoxy)acetamide
CID 59178255
N-[2-(4-ethoxyphenoxy)phenyl]-4-methylbenzamide
CID 7925397
tert-butyl N-(2-ethoxy-4-methylphenyl)carbamate
CID 65142813
2-(4-ethoxyphenoxy)-4-methylaniline
CID 26189599
1-methoxy-1-methyl-3-[4-[(3-methylphenyl)methoxy]phenyl]urea
CID 12893509
2-[2-[5-chloro-2-(4-ethoxyphenoxy)anilino]-2-oxoethoxy]-4-methylbenzamide
CID 24585455
N-(2,4-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 45373105
N-(2-ethoxy-4-methylphenyl)-2-(3-methylphenoxy)acetamide
CID 87027069
3-(3-chloro-2-ethoxyphenyl)-1-methoxy-1-methylurea
CID 150580379
3-chloro-N-(2-ethoxy-4-methylphenyl)-4-iodobenzamide
CID 103221306
N-[2-(4-ethoxyphenoxy)phenyl]-2-(2-methoxyethoxy)acetamide
CID 43037548

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethoxyphenoxy)-4-methylphenyl]-1-methoxy-1-methylurea?
The IUPAC name of 3-[2-(4-ethoxyphenoxy)-4-methylphenyl]-1-methoxy-1-methylurea (CID 88703244) is 3-[2-(4-ethoxyphenoxy)-4-methylphenyl]-1-methoxy-1-methylurea.
What is the SMILES notation for 3-[2-(4-ethoxyphenoxy)-4-methylphenyl]-1-methoxy-1-methylurea?
The canonical SMILES for 3-[2-(4-ethoxyphenoxy)-4-methylphenyl]-1-methoxy-1-methylurea is CCOc1ccc(Oc2cc(C)ccc2NC(=O)N(C)OC)cc1.
What is the InChIKey of 3-[2-(4-ethoxyphenoxy)-4-methylphenyl]-1-methoxy-1-methylurea?
The InChIKey is RVQDOYBFJYSIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-5-23-14-7-9-15(10-8-14)24-17-12-13(2)6-11-16(17)19-18(21)20(3)22-4/h6-12H,5H2,1-4H3,(H,19,21).
What are the key properties of 3-[2-(4-ethoxyphenoxy)-4-methylphenyl]-1-methoxy-1-methylurea?
3-[2-(4-ethoxyphenoxy)-4-methylphenyl]-1-methoxy-1-methylurea has a molecular weight of 330.38 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethoxyphenoxy)-4-methylphenyl]-1-methoxy-1-methylurea is sourced from PubChem (CID 88703244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).