3-[2-(4-chlorophenoxy)ethyl]-1,1-diethylurea

C13H19ClN2O2 — CID 112970926

IUPAC3-[2-(4-chlorophenoxy)ethyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O2/c1-3-16(4-2)13(17)15-9-10-18-12-7-5-11(14)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyKCXDWNXUBOHTOV-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.77
Rot. Bonds6

About 3-[2-(4-chlorophenoxy)ethyl]-1,1-diethylurea

3-[2-(4-chlorophenoxy)ethyl]-1,1-diethylurea (PubChem CID 112970926) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 3-[2-(4-chlorophenoxy)ethyl]-1,1-diethylurea.

Molecular Properties

Compound Name3-[2-(4-chlorophenoxy)ethyl]-1,1-diethylurea
PubChem CID112970926
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name3-[2-(4-chlorophenoxy)ethyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O2/c1-3-16(4-2)13(17)15-9-10-18-12-7-5-11(14)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyKCXDWNXUBOHTOV-UHFFFAOYSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide
CID 108573295
3-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-1,1-diethylurea
CID 112977185
N-[2-(4-chlorophenoxy)ethyl]-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8692956
ethyl N-[2-[4-(4-chlorophenoxy)phenoxy]ethyl]carbamate
CID 19881385
1-benzyl-1-ethyl-3-(2-phenoxyethyl)urea
CID 108887045
1,1-diethyl-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969935
N-[2-(4-chlorophenoxy)ethyl]-2,2-dimethylpropanamide
CID 56922590
3-[2-(4-chlorophenoxy)ethyl]-1-(1-cyclopropylethyl)-1-methylurea
CID 87000163
1-butan-2-yl-3-[2-(4-chlorophenoxy)ethyl]urea
CID 47216540
1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112970962
3-[2-(4-chlorophenoxy)ethoxy]-N,N-diethylbenzamide
CID 13387018
ethyl 2-[2-(4-chlorophenoxy)ethylcarbamoyloxy]acetate
CID 91288841

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenoxy)ethyl]-1,1-diethylurea?
The IUPAC name of 3-[2-(4-chlorophenoxy)ethyl]-1,1-diethylurea (CID 112970926) is 3-[2-(4-chlorophenoxy)ethyl]-1,1-diethylurea.
What is the SMILES notation for 3-[2-(4-chlorophenoxy)ethyl]-1,1-diethylurea?
The canonical SMILES for 3-[2-(4-chlorophenoxy)ethyl]-1,1-diethylurea is CCN(CC)C(=O)NCCOc1ccc(Cl)cc1.
What is the InChIKey of 3-[2-(4-chlorophenoxy)ethyl]-1,1-diethylurea?
The InChIKey is KCXDWNXUBOHTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-3-16(4-2)13(17)15-9-10-18-12-7-5-11(14)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,15,17).
What are the key properties of 3-[2-(4-chlorophenoxy)ethyl]-1,1-diethylurea?
3-[2-(4-chlorophenoxy)ethyl]-1,1-diethylurea has a molecular weight of 270.76 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenoxy)ethyl]-1,1-diethylurea is sourced from PubChem (CID 112970926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).