1-[2-(2-chloroethoxy)ethyl]-3-methylurea

C6H13ClN2O2 — CID 157271726

IUPAC1-[2-(2-chloroethoxy)ethyl]-3-methylurea
SMILESCNC(=O)NCCOCCCl
InChIInChI=1S/C6H13ClN2O2/c1-8-6(10)9-3-5-11-4-2-7/h2-5H2,1H3,(H2,8,9,10)
InChIKeyUEVCLJKALYUXBJ-UHFFFAOYSA-N
MW180.63 g/mol
LogP0.17
Rot. Bonds5

About 1-[2-(2-chloroethoxy)ethyl]-3-methylurea

1-[2-(2-chloroethoxy)ethyl]-3-methylurea (PubChem CID 157271726) has the molecular formula C6H13ClN2O2 and a molecular weight of 180.63 g/mol. Its IUPAC name is 1-[2-(2-chloroethoxy)ethyl]-3-methylurea.

Molecular Properties

Compound Name1-[2-(2-chloroethoxy)ethyl]-3-methylurea
PubChem CID157271726
Molecular FormulaC6H13ClN2O2
Molecular Weight180.63 g/mol
Exact Mass180.07
IUPAC Name1-[2-(2-chloroethoxy)ethyl]-3-methylurea
SMILESCNC(=O)NCCOCCCl
InChIInChI=1S/C6H13ClN2O2/c1-8-6(10)9-3-5-11-4-2-7/h2-5H2,1H3,(H2,8,9,10)
InChIKeyUEVCLJKALYUXBJ-UHFFFAOYSA-N
XLogP0.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-(2-chloroethoxy)ethyl]-3-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-chloroethoxy)ethyl]-2-methylpropanamide
CID 114297620
1-(2-but-3-enoxyethyl)-3-methylurea
CID 103852773
3,3-dimethyl-N-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]butanamide
CID 20736984
N-[2-(2-chloroethoxy)ethyl]-2-methylsulfonylpropanamide
CID 104522334
N-[2-(2-chloroethoxy)ethyl]-3-methylbutanamide
CID 114297478
1-[2-(2-chloroethoxy)ethyl]-3-cyclohexylurea
CID 12683643
2-(2-chloroethoxy)ethyl N-methylcarbamate
CID 103970595
N-[2-(2-chloroethoxy)ethyl]-3-methylsulfanylpropanamide
CID 114297749
N-[2-(2-chloroethoxy)ethyl]-1-methylcyclohexane-1-carboxamide
CID 106828991
1-methyl-3-[2-(methylamino)ethyl]urea
CID 22381232
1-[2-[2-[2-(benzenesulfonamido)ethoxy]ethoxy]ethyl]-3-methylurea
CID 160918507
N-[2-[2-(2-chloroethoxy)ethoxy]ethyl]benzamide
CID 126723293

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloroethoxy)ethyl]-3-methylurea?
The IUPAC name of 1-[2-(2-chloroethoxy)ethyl]-3-methylurea (CID 157271726) is 1-[2-(2-chloroethoxy)ethyl]-3-methylurea.
What is the SMILES notation for 1-[2-(2-chloroethoxy)ethyl]-3-methylurea?
The canonical SMILES for 1-[2-(2-chloroethoxy)ethyl]-3-methylurea is CNC(=O)NCCOCCCl.
What is the InChIKey of 1-[2-(2-chloroethoxy)ethyl]-3-methylurea?
The InChIKey is UEVCLJKALYUXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClN2O2/c1-8-6(10)9-3-5-11-4-2-7/h2-5H2,1H3,(H2,8,9,10).
What are the key properties of 1-[2-(2-chloroethoxy)ethyl]-3-methylurea?
1-[2-(2-chloroethoxy)ethyl]-3-methylurea has a molecular weight of 180.63 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloroethoxy)ethyl]-3-methylurea is sourced from PubChem (CID 157271726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).