3-[3-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]-1-methoxy-1-methylurea

C17H18Cl2N2O4 — CID 12801927

IUPAC3-[3-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]-1-methoxy-1-methylurea
SMILESCON(C)C(=O)Nc1cccc(OCCOc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H18Cl2N2O4/c1-21(23-2)17(22)20-13-4-3-5-14(11-13)24-8-9-25-16-7-6-12(18)10-15(16)19/h3-7,10-11H,8-9H2,1-2H3,(H,20,22)
InChIKeyPXNFHIXFKGKHRA-UHFFFAOYSA-N
MW385.25 g/mol
LogP4.48
Rot. Bonds7

About 3-[3-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]-1-methoxy-1-methylurea

3-[3-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]-1-methoxy-1-methylurea (PubChem CID 12801927) has the molecular formula C17H18Cl2N2O4 and a molecular weight of 385.25 g/mol. Its IUPAC name is 3-[3-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]-1-methoxy-1-methylurea.

Molecular Properties

Compound Name3-[3-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]-1-methoxy-1-methylurea
PubChem CID12801927
Molecular FormulaC17H18Cl2N2O4
Molecular Weight385.25 g/mol
Exact Mass384.06
IUPAC Name3-[3-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]-1-methoxy-1-methylurea
SMILESCON(C)C(=O)Nc1cccc(OCCOc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H18Cl2N2O4/c1-21(23-2)17(22)20-13-4-3-5-14(11-13)24-8-9-25-16-7-6-12(18)10-15(16)19/h3-7,10-11H,8-9H2,1-2H3,(H,20,22)
InChIKeyPXNFHIXFKGKHRA-UHFFFAOYSA-N
XLogP4.48
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.25
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2-chloroethoxy)phenyl]-1-methoxy-1-methylurea
CID 54473679
N-[(3-butoxyphenyl)carbamothioyl]-4-(2,4-dichlorophenoxy)butanamide
CID 17095167
1-methoxy-1-methyl-3-[3-[3-(2-methylphenyl)propoxy]phenyl]urea
CID 12953602
1-[(2,4-dichlorophenoxy)methyl]-3-(3-methoxyphenyl)urea
CID 108880965
1-methoxy-1-methyl-3-(3-phenoxyphenyl)urea
CID 13424071
[3-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl] acetate
CID 17341804
2-(2-chlorophenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169815
2,4-dichloro-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17169954
3-[3-[2-(1-adamantyl)ethoxy]phenyl]-1-methoxy-1-methylurea
CID 15583000
1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea
CID 24528515
3-[3-(2-aminoethoxy)phenyl]-1,1-dimethylurea
CID 79154063
4-(2,4-dichlorophenoxy)-N-[3-(propanoylamino)phenyl]butanamide
CID 17188242

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]-1-methoxy-1-methylurea?
The IUPAC name of 3-[3-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]-1-methoxy-1-methylurea (CID 12801927) is 3-[3-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]-1-methoxy-1-methylurea.
What is the SMILES notation for 3-[3-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]-1-methoxy-1-methylurea?
The canonical SMILES for 3-[3-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]-1-methoxy-1-methylurea is CON(C)C(=O)Nc1cccc(OCCOc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 3-[3-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]-1-methoxy-1-methylurea?
The InChIKey is PXNFHIXFKGKHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O4/c1-21(23-2)17(22)20-13-4-3-5-14(11-13)24-8-9-25-16-7-6-12(18)10-15(16)19/h3-7,10-11H,8-9H2,1-2H3,(H,20,22).
What are the key properties of 3-[3-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]-1-methoxy-1-methylurea?
3-[3-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]-1-methoxy-1-methylurea has a molecular weight of 385.25 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]-1-methoxy-1-methylurea is sourced from PubChem (CID 12801927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).