1-(4-amino-4-methylcyclohexyl)-3-(2-methoxyethyl)urea

C11H23N3O2 — CID 165468943

IUPAC1-(4-amino-4-methylcyclohexyl)-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NC1CCC(C)(N)CC1
InChIInChI=1S/C11H23N3O2/c1-11(12)5-3-9(4-6-11)14-10(15)13-7-8-16-2/h9H,3-8,12H2,1-2H3,(H2,13,14,15)
InChIKeyKPPPZLIHVCMDMV-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.59
Rot. Bonds4

About 1-(4-amino-4-methylcyclohexyl)-3-(2-methoxyethyl)urea

1-(4-amino-4-methylcyclohexyl)-3-(2-methoxyethyl)urea (PubChem CID 165468943) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(4-amino-4-methylcyclohexyl)-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-(4-amino-4-methylcyclohexyl)-3-(2-methoxyethyl)urea
PubChem CID165468943
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name1-(4-amino-4-methylcyclohexyl)-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NC1CCC(C)(N)CC1
InChIInChI=1S/C11H23N3O2/c1-11(12)5-3-9(4-6-11)14-10(15)13-7-8-16-2/h9H,3-8,12H2,1-2H3,(H2,13,14,15)
InChIKeyKPPPZLIHVCMDMV-UHFFFAOYSA-N
XLogP0.59
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylcarbamoylamino)-N-(2-methoxyethyl)acetamide
CID 47127449
2-(cyclopentylcarbamoylamino)-N-(2-methoxyethyl)acetamide
CID 38170461
1-(4,4-dimethylcyclohexyl)-3-propylurea
CID 115660888
1-cyclobutyl-3-(4-methoxybutyl)urea
CID 84519072
2-(cyclohexylcarbamoylamino)-N-(2-methoxyethyl)acetamide
CID 47122602
1-(2-aminooxyethyl)-3-cyclopentylurea
CID 143252596
1-(2-methoxyethyl)-3-(2-methylcyclohexyl)urea
CID 47133656
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(2-methoxyethyl)acetamide
CID 113053206
2-(cyclobutylcarbamoylamino)-N-(2-methoxyethyl)propanamide
CID 116657734
1-cyclopentyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
CID 103793592
1-cyclobutyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
CID 103793976
1-cyclododecyl-3-(2-methoxyethoxymethyl)urea
CID 108894366

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-4-methylcyclohexyl)-3-(2-methoxyethyl)urea?
The IUPAC name of 1-(4-amino-4-methylcyclohexyl)-3-(2-methoxyethyl)urea (CID 165468943) is 1-(4-amino-4-methylcyclohexyl)-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-(4-amino-4-methylcyclohexyl)-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-(4-amino-4-methylcyclohexyl)-3-(2-methoxyethyl)urea is COCCNC(=O)NC1CCC(C)(N)CC1.
What is the InChIKey of 1-(4-amino-4-methylcyclohexyl)-3-(2-methoxyethyl)urea?
The InChIKey is KPPPZLIHVCMDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-11(12)5-3-9(4-6-11)14-10(15)13-7-8-16-2/h9H,3-8,12H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-(4-amino-4-methylcyclohexyl)-3-(2-methoxyethyl)urea?
1-(4-amino-4-methylcyclohexyl)-3-(2-methoxyethyl)urea has a molecular weight of 229.32 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-4-methylcyclohexyl)-3-(2-methoxyethyl)urea is sourced from PubChem (CID 165468943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).