1-cyclododecyl-3-[(4-ethoxyphenyl)methyl]urea

C22H36N2O2 — CID 108884395

IUPAC1-cyclododecyl-3-[(4-ethoxyphenyl)methyl]urea
SMILESCCOc1ccc(CNC(=O)NC2CCCCCCCCCCC2)cc1
InChIInChI=1S/C22H36N2O2/c1-2-26-21-16-14-19(15-17-21)18-23-22(25)24-20-12-10-8-6-4-3-5-7-9-11-13-20/h14-17,20H,2-13,18H2,1H3,(H2,23,24,25)
InChIKeyVZHUDWSYAPUHQO-UHFFFAOYSA-N
MW360.54 g/mol
LogP5.56
Rot. Bonds5

About 1-cyclododecyl-3-[(4-ethoxyphenyl)methyl]urea

1-cyclododecyl-3-[(4-ethoxyphenyl)methyl]urea (PubChem CID 108884395) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is 1-cyclododecyl-3-[(4-ethoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-cyclododecyl-3-[(4-ethoxyphenyl)methyl]urea
PubChem CID108884395
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC Name1-cyclododecyl-3-[(4-ethoxyphenyl)methyl]urea
SMILESCCOc1ccc(CNC(=O)NC2CCCCCCCCCCC2)cc1
InChIInChI=1S/C22H36N2O2/c1-2-26-21-16-14-19(15-17-21)18-23-22(25)24-20-12-10-8-6-4-3-5-7-9-11-13-20/h14-17,20H,2-13,18H2,1H3,(H2,23,24,25)
InChIKeyVZHUDWSYAPUHQO-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

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Related Compounds

1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
1-[(4-ethoxyphenyl)methyl]-3-(2-methylcyclohexyl)urea
CID 108884452
1-[[4-(aminomethyl)phenyl]methyl]-3-cyclohexylurea
CID 54936547
4-[(cyclooctylcarbamoylamino)methyl]-N,N-dimethylbenzamide
CID 86992768
1-[(4-ethoxyphenyl)methyl]-3-ethylurea
CID 108884423
1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclohexylurea
CID 62500632
N-[(4-ethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331532
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 8798946
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
1-cyclopentyl-3-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]urea
CID 20955548
1-[(4-butoxy-3-methoxyphenyl)methyl]-3-cyclohexylurea
CID 46762304
1-cyclopentyl-3-[(4-propan-2-ylsulfanylphenyl)methyl]urea
CID 110775362

Frequently Asked Questions

What is the IUPAC name of 1-cyclododecyl-3-[(4-ethoxyphenyl)methyl]urea?
The IUPAC name of 1-cyclododecyl-3-[(4-ethoxyphenyl)methyl]urea (CID 108884395) is 1-cyclododecyl-3-[(4-ethoxyphenyl)methyl]urea.
What is the SMILES notation for 1-cyclododecyl-3-[(4-ethoxyphenyl)methyl]urea?
The canonical SMILES for 1-cyclododecyl-3-[(4-ethoxyphenyl)methyl]urea is CCOc1ccc(CNC(=O)NC2CCCCCCCCCCC2)cc1.
What is the InChIKey of 1-cyclododecyl-3-[(4-ethoxyphenyl)methyl]urea?
The InChIKey is VZHUDWSYAPUHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O2/c1-2-26-21-16-14-19(15-17-21)18-23-22(25)24-20-12-10-8-6-4-3-5-7-9-11-13-20/h14-17,20H,2-13,18H2,1H3,(H2,23,24,25).
What are the key properties of 1-cyclododecyl-3-[(4-ethoxyphenyl)methyl]urea?
1-cyclododecyl-3-[(4-ethoxyphenyl)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-[(4-ethoxyphenyl)methyl]urea is sourced from PubChem (CID 108884395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).