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

C11H21ClN2O2 — CID 12683643

IUPAC1-[2-(2-chloroethoxy)ethyl]-3-cyclohexylurea
SMILESO=C(NCCOCCCl)NC1CCCCC1
InChIInChI=1S/C11H21ClN2O2/c12-6-8-16-9-7-13-11(15)14-10-4-2-1-3-5-10/h10H,1-9H2,(H2,13,14,15)
InChIKeyLLJADVULZVKXBV-UHFFFAOYSA-N
MW248.75 g/mol
LogP1.87
Rot. Bonds6

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

1-[2-(2-chloroethoxy)ethyl]-3-cyclohexylurea (PubChem CID 12683643) has the molecular formula C11H21ClN2O2 and a molecular weight of 248.75 g/mol. Its IUPAC name is 1-[2-(2-chloroethoxy)ethyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[2-(2-chloroethoxy)ethyl]-3-cyclohexylurea
PubChem CID12683643
Molecular FormulaC11H21ClN2O2
Molecular Weight248.75 g/mol
Exact Mass248.13
IUPAC Name1-[2-(2-chloroethoxy)ethyl]-3-cyclohexylurea
SMILESO=C(NCCOCCCl)NC1CCCCC1
InChIInChI=1S/C11H21ClN2O2/c12-6-8-16-9-7-13-11(15)14-10-4-2-1-3-5-10/h10H,1-9H2,(H2,13,14,15)
InChIKeyLLJADVULZVKXBV-UHFFFAOYSA-N
XLogP1.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 51.87
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'}

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Related Compounds

1-cyclobutyl-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 116658500
1-(2-but-3-enoxyethyl)-3-cyclopentylurea
CID 103853130
1-(2-aminooxyethyl)-3-cyclopentylurea
CID 143252596
2-(cyclohexylcarbamoylamino)-N-(2-methoxyethyl)acetamide
CID 47122602
N'-cyclohexyl-N-[2-(2-hydroxyethoxy)ethyl]oxamide
CID 108504381
1-cyclododecyl-3-(2-methoxyethoxymethyl)urea
CID 108894366
2-(cyclopentylcarbamoylamino)-N-(2-methoxyethyl)acetamide
CID 38170461
N-cyclohexyl-2-(cyclopentylcarbamoylamino)acetamide
CID 84516190
1-cyclododecyl-3-(cyclohexylmethyl)urea
CID 108902864
1-[2-(2-chloroethoxy)ethyl]-3-methylurea
CID 157271726
1-cyclopentyl-3-propylurea
CID 14343339
N-[2-(2-chloroethoxy)ethyl]-2-cyclobutylacetamide
CID 103166701

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloroethoxy)ethyl]-3-cyclohexylurea?
The IUPAC name of 1-[2-(2-chloroethoxy)ethyl]-3-cyclohexylurea (CID 12683643) is 1-[2-(2-chloroethoxy)ethyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[2-(2-chloroethoxy)ethyl]-3-cyclohexylurea?
The canonical SMILES for 1-[2-(2-chloroethoxy)ethyl]-3-cyclohexylurea is O=C(NCCOCCCl)NC1CCCCC1.
What is the InChIKey of 1-[2-(2-chloroethoxy)ethyl]-3-cyclohexylurea?
The InChIKey is LLJADVULZVKXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN2O2/c12-6-8-16-9-7-13-11(15)14-10-4-2-1-3-5-10/h10H,1-9H2,(H2,13,14,15).
What are the key properties of 1-[2-(2-chloroethoxy)ethyl]-3-cyclohexylurea?
1-[2-(2-chloroethoxy)ethyl]-3-cyclohexylurea has a molecular weight of 248.75 g/mol, XLogP of 1.87, 6 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-cyclohexylurea is sourced from PubChem (CID 12683643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).