1-[2-(2,3-dichlorophenoxy)ethyl]-3-(3-ethoxypropyl)urea

C14H20Cl2N2O3 — CID 60580427

IUPAC1-[2-(2,3-dichlorophenoxy)ethyl]-3-(3-ethoxypropyl)urea
SMILESCCOCCCNC(=O)NCCOc1cccc(Cl)c1Cl
InChIInChI=1S/C14H20Cl2N2O3/c1-2-20-9-4-7-17-14(19)18-8-10-21-12-6-3-5-11(15)13(12)16/h3,5-6H,2,4,7-10H2,1H3,(H2,17,18,19)
InChIKeyBHANELJROUWZGM-UHFFFAOYSA-N
MW335.23 g/mol
LogP3.10
Rot. Bonds9

About 1-[2-(2,3-dichlorophenoxy)ethyl]-3-(3-ethoxypropyl)urea

1-[2-(2,3-dichlorophenoxy)ethyl]-3-(3-ethoxypropyl)urea (PubChem CID 60580427) has the molecular formula C14H20Cl2N2O3 and a molecular weight of 335.23 g/mol. Its IUPAC name is 1-[2-(2,3-dichlorophenoxy)ethyl]-3-(3-ethoxypropyl)urea.

Molecular Properties

Compound Name1-[2-(2,3-dichlorophenoxy)ethyl]-3-(3-ethoxypropyl)urea
PubChem CID60580427
Molecular FormulaC14H20Cl2N2O3
Molecular Weight335.23 g/mol
Exact Mass334.09
IUPAC Name1-[2-(2,3-dichlorophenoxy)ethyl]-3-(3-ethoxypropyl)urea
SMILESCCOCCCNC(=O)NCCOc1cccc(Cl)c1Cl
InChIInChI=1S/C14H20Cl2N2O3/c1-2-20-9-4-7-17-14(19)18-8-10-21-12-6-3-5-11(15)13(12)16/h3,5-6H,2,4,7-10H2,1H3,(H2,17,18,19)
InChIKeyBHANELJROUWZGM-UHFFFAOYSA-N
XLogP3.10
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dichlorophenoxy)ethyl]-3-(3-ethoxypropyl)urea?
The IUPAC name of 1-[2-(2,3-dichlorophenoxy)ethyl]-3-(3-ethoxypropyl)urea (CID 60580427) is 1-[2-(2,3-dichlorophenoxy)ethyl]-3-(3-ethoxypropyl)urea.
What is the SMILES notation for 1-[2-(2,3-dichlorophenoxy)ethyl]-3-(3-ethoxypropyl)urea?
The canonical SMILES for 1-[2-(2,3-dichlorophenoxy)ethyl]-3-(3-ethoxypropyl)urea is CCOCCCNC(=O)NCCOc1cccc(Cl)c1Cl.
What is the InChIKey of 1-[2-(2,3-dichlorophenoxy)ethyl]-3-(3-ethoxypropyl)urea?
The InChIKey is BHANELJROUWZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O3/c1-2-20-9-4-7-17-14(19)18-8-10-21-12-6-3-5-11(15)13(12)16/h3,5-6H,2,4,7-10H2,1H3,(H2,17,18,19).
What are the key properties of 1-[2-(2,3-dichlorophenoxy)ethyl]-3-(3-ethoxypropyl)urea?
1-[2-(2,3-dichlorophenoxy)ethyl]-3-(3-ethoxypropyl)urea has a molecular weight of 335.23 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dichlorophenoxy)ethyl]-3-(3-ethoxypropyl)urea is sourced from PubChem (CID 60580427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).