1-cyclododecyl-3-[(2-ethylphenoxy)methyl]urea

C22H36N2O2 — CID 108893285

IUPAC1-cyclododecyl-3-[(2-ethylphenoxy)methyl]urea
SMILESCCc1ccccc1OCNC(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C22H36N2O2/c1-2-19-14-12-13-17-21(19)26-18-23-22(25)24-20-15-10-8-6-4-3-5-7-9-11-16-20/h12-14,17,20H,2-11,15-16,18H2,1H3,(H2,23,24,25)
InChIKeyVMYRSMIBOSQQFE-UHFFFAOYSA-N
MW360.54 g/mol
LogP5.56
Rot. Bonds5

About 1-cyclododecyl-3-[(2-ethylphenoxy)methyl]urea

1-cyclododecyl-3-[(2-ethylphenoxy)methyl]urea (PubChem CID 108893285) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is 1-cyclododecyl-3-[(2-ethylphenoxy)methyl]urea.

Molecular Properties

Compound Name1-cyclododecyl-3-[(2-ethylphenoxy)methyl]urea
PubChem CID108893285
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC Name1-cyclododecyl-3-[(2-ethylphenoxy)methyl]urea
SMILESCCc1ccccc1OCNC(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C22H36N2O2/c1-2-19-14-12-13-17-21(19)26-18-23-22(25)24-20-15-10-8-6-4-3-5-7-9-11-16-20/h12-14,17,20H,2-11,15-16,18H2,1H3,(H2,23,24,25)
InChIKeyVMYRSMIBOSQQFE-UHFFFAOYSA-N
XLogP5.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.54
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-cycloheptyl-2-(2-ethylphenoxy)propanamide
CID 93488429
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-ethylphenoxy)acetate
CID 46789478
1-[(2-ethylphenoxy)methyl]-3-phenylurea
CID 108893317
2-(cyclohexylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 112992729
1-(2-chloroethyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893263
1-cyclohexyl-3-[4-(2-methylphenoxy)but-2-ynyl]urea
CID 90575360
1-[(2-ethylphenoxy)methyl]-3-pyrimidin-2-ylurea
CID 108893308
1-[(2-ethylphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108893488
1-cyclohexyl-3-(2-propoxyphenyl)urea
CID 47103328
1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969798
1-cyclohexyl-3-(2-ethyl-6-methylphenyl)urea
CID 3326830
1-[(2-ethylphenoxy)methyl]-3-(4-fluorophenyl)urea
CID 108893256

Frequently Asked Questions

What is the IUPAC name of 1-cyclododecyl-3-[(2-ethylphenoxy)methyl]urea?
The IUPAC name of 1-cyclododecyl-3-[(2-ethylphenoxy)methyl]urea (CID 108893285) is 1-cyclododecyl-3-[(2-ethylphenoxy)methyl]urea.
What is the SMILES notation for 1-cyclododecyl-3-[(2-ethylphenoxy)methyl]urea?
The canonical SMILES for 1-cyclododecyl-3-[(2-ethylphenoxy)methyl]urea is CCc1ccccc1OCNC(=O)NC1CCCCCCCCCCC1.
What is the InChIKey of 1-cyclododecyl-3-[(2-ethylphenoxy)methyl]urea?
The InChIKey is VMYRSMIBOSQQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O2/c1-2-19-14-12-13-17-21(19)26-18-23-22(25)24-20-15-10-8-6-4-3-5-7-9-11-16-20/h12-14,17,20H,2-11,15-16,18H2,1H3,(H2,23,24,25).
What are the key properties of 1-cyclododecyl-3-[(2-ethylphenoxy)methyl]urea?
1-cyclododecyl-3-[(2-ethylphenoxy)methyl]urea has a molecular weight of 360.54 g/mol, XLogP of 5.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclododecyl-3-[(2-ethylphenoxy)methyl]urea is sourced from PubChem (CID 108893285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).