1-cyclododecyl-3-(2-methoxyethoxymethyl)urea

C17H34N2O3 — CID 108894366

IUPAC1-cyclododecyl-3-(2-methoxyethoxymethyl)urea
SMILESCOCCOCNC(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C17H34N2O3/c1-21-13-14-22-15-18-17(20)19-16-11-9-7-5-3-2-4-6-8-10-12-16/h16H,2-15H2,1H3,(H2,18,19,20)
InChIKeyRVHVIAILEYXLDQ-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.58
Rot. Bonds6

About 1-cyclododecyl-3-(2-methoxyethoxymethyl)urea

1-cyclododecyl-3-(2-methoxyethoxymethyl)urea (PubChem CID 108894366) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is 1-cyclododecyl-3-(2-methoxyethoxymethyl)urea.

Molecular Properties

Compound Name1-cyclododecyl-3-(2-methoxyethoxymethyl)urea
PubChem CID108894366
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC Name1-cyclododecyl-3-(2-methoxyethoxymethyl)urea
SMILESCOCCOCNC(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C17H34N2O3/c1-21-13-14-22-15-18-17(20)19-16-11-9-7-5-3-2-4-6-8-10-12-16/h16H,2-15H2,1H3,(H2,18,19,20)
InChIKeyRVHVIAILEYXLDQ-UHFFFAOYSA-N
XLogP3.58
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexylcarbamoylamino)-N-(2-methoxyethyl)acetamide
CID 47122602
2-(cyclopentylcarbamoylamino)-N-(2-methoxyethyl)acetamide
CID 38170461
2-(cyclohexylcarbamoylamino)-N-(3-methoxypropyl)acetamide
CID 47318586
1-cyclobutyl-3-(4-methoxybutyl)urea
CID 84519072
1-cyclopentyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
CID 103793592
N-cycloheptyl-3-methoxypropanamide
CID 110839127
1-cyclododecyl-3-(cyclohexylmethyl)urea
CID 108902864
1-[2-(2-chloroethoxy)ethyl]-3-cyclohexylurea
CID 12683643
2-(cyclohexylcarbamoylamino)-4-methoxybutanoic acid
CID 62478798
1-cyclobutyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
CID 103793976
1-cycloheptyl-3-methoxyurea
CID 126986046
1-cyclopentyl-3-ethylurea;ethane
CID 145358709

Frequently Asked Questions

What is the IUPAC name of 1-cyclododecyl-3-(2-methoxyethoxymethyl)urea?
The IUPAC name of 1-cyclododecyl-3-(2-methoxyethoxymethyl)urea (CID 108894366) is 1-cyclododecyl-3-(2-methoxyethoxymethyl)urea.
What is the SMILES notation for 1-cyclododecyl-3-(2-methoxyethoxymethyl)urea?
The canonical SMILES for 1-cyclododecyl-3-(2-methoxyethoxymethyl)urea is COCCOCNC(=O)NC1CCCCCCCCCCC1.
What is the InChIKey of 1-cyclododecyl-3-(2-methoxyethoxymethyl)urea?
The InChIKey is RVHVIAILEYXLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O3/c1-21-13-14-22-15-18-17(20)19-16-11-9-7-5-3-2-4-6-8-10-12-16/h16H,2-15H2,1H3,(H2,18,19,20).
What are the key properties of 1-cyclododecyl-3-(2-methoxyethoxymethyl)urea?
1-cyclododecyl-3-(2-methoxyethoxymethyl)urea has a molecular weight of 314.47 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclododecyl-3-(2-methoxyethoxymethyl)urea is sourced from PubChem (CID 108894366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).