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

C17H19ClN2O3 — CID 12953558

IUPAC3-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-1-methoxy-1-methylurea
SMILESCON(C)C(=O)Nc1ccc(OCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O3/c1-20(22-2)17(21)19-15-7-9-16(10-8-15)23-12-11-13-3-5-14(18)6-4-13/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyOHFRNDFWEUBAEN-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.99
Rot. Bonds6

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

3-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-1-methoxy-1-methylurea (PubChem CID 12953558) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 3-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-1-methoxy-1-methylurea.

Molecular Properties

Compound Name3-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-1-methoxy-1-methylurea
PubChem CID12953558
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name3-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-1-methoxy-1-methylurea
SMILESCON(C)C(=O)Nc1ccc(OCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O3/c1-20(22-2)17(21)19-15-7-9-16(10-8-15)23-12-11-13-3-5-14(18)6-4-13/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyOHFRNDFWEUBAEN-UHFFFAOYSA-N
XLogP3.99
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-1-methyl-3-[4-(6-phenylhexoxy)phenyl]urea
CID 13424076
tris(3-(4-chlorophenyl)-1,1-dimethylurea);bis(3-(4-chlorophenyl)-1-methoxy-1-methylurea)
CID 173361300
3-[4-[(4-bromophenyl)methoxy]phenyl]-1-methoxy-1-methylurea
CID 12893499
3-[4-(2-cyclohexylethoxy)phenyl]-1-methoxy-1-methylurea
CID 23275933
3-(4-chlorophenyl)-N-(4-pentoxyphenyl)propanamide
CID 19220836
1-methoxy-1-methyl-3-[4-[(3-methylphenyl)methoxy]phenyl]urea
CID 12893509
N-[4-[2-(4-methylphenyl)ethoxy]phenyl]acetamide
CID 13017655
2-amino-N-[4-[2-[4-(4-chlorophenyl)phenyl]ethoxy]phenyl]-3-hydroxypropanamide
CID 143188428
2-(4-chlorophenyl)-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 17130169
1-chloro-4-[2-[(4-fluorosulfonyloxyphenyl)carbamoyl-methylamino]ethyl]benzene
CID 167902787
2-[4-[2-(4-chlorophenoxy)ethyl]phenyl]acetamide
CID 72937831
methyl 4-[3-(4-chlorophenoxy)propanoylamino]benzoate
CID 108802931

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-1-methoxy-1-methylurea?
The IUPAC name of 3-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-1-methoxy-1-methylurea (CID 12953558) is 3-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-1-methoxy-1-methylurea.
What is the SMILES notation for 3-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-1-methoxy-1-methylurea?
The canonical SMILES for 3-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-1-methoxy-1-methylurea is CON(C)C(=O)Nc1ccc(OCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-1-methoxy-1-methylurea?
The InChIKey is OHFRNDFWEUBAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-20(22-2)17(21)19-15-7-9-16(10-8-15)23-12-11-13-3-5-14(18)6-4-13/h3-10H,11-12H2,1-2H3,(H,19,21).
What are the key properties of 3-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-1-methoxy-1-methylurea?
3-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-1-methoxy-1-methylurea has a molecular weight of 334.80 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-1-methoxy-1-methylurea is sourced from PubChem (CID 12953558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).