1-(2-morpholin-4-ylethyl)-3-pentylurea

C12H25N3O2 — CID 108988288

IUPAC1-(2-morpholin-4-ylethyl)-3-pentylurea
SMILESCCCCCNC(=O)NCCN1CCOCC1
InChIInChI=1S/C12H25N3O2/c1-2-3-4-5-13-12(16)14-6-7-15-8-10-17-11-9-15/h2-11H2,1H3,(H2,13,14,16)
InChIKeyXUHPUVIJSQGZST-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.81
Rot. Bonds7

About 1-(2-morpholin-4-ylethyl)-3-pentylurea

1-(2-morpholin-4-ylethyl)-3-pentylurea (PubChem CID 108988288) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-3-pentylurea.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-3-pentylurea
PubChem CID108988288
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name1-(2-morpholin-4-ylethyl)-3-pentylurea
SMILESCCCCCNC(=O)NCCN1CCOCC1
InChIInChI=1S/C12H25N3O2/c1-2-3-4-5-13-12(16)14-6-7-15-8-10-17-11-9-15/h2-11H2,1H3,(H2,13,14,16)
InChIKeyXUHPUVIJSQGZST-UHFFFAOYSA-N
XLogP0.81
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-morpholin-4-ylethyl)-3-propylurea
CID 4583080
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-pentylpropanediamide
CID 108960403
3-(2-morpholin-4-ylethylamino)-N-pentylpropanamide
CID 109016748
N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
CID 18968645
1-octyl-3-(2-piperidin-1-ylethyl)urea
CID 139652292
1-(2-piperidin-1-ylethyl)-3-tetradecylurea
CID 139652340
1-(3-morpholin-4-ylpropanoylamino)-3-octadecylurea
CID 18968658
1-(2-morpholin-4-ylethyl)-3-(3-triethoxysilylpropyl)urea
CID 59782824
1-hexyl-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111023845
N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid
CID 162122494
1-pentyl-3-(6-piperidin-1-ylhexyl)urea
CID 58599050
N-butyl-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113103857

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-3-pentylurea?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-3-pentylurea (CID 108988288) is 1-(2-morpholin-4-ylethyl)-3-pentylurea.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-3-pentylurea?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-3-pentylurea is CCCCCNC(=O)NCCN1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-3-pentylurea?
The InChIKey is XUHPUVIJSQGZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-2-3-4-5-13-12(16)14-6-7-15-8-10-17-11-9-15/h2-11H2,1H3,(H2,13,14,16).
What are the key properties of 1-(2-morpholin-4-ylethyl)-3-pentylurea?
1-(2-morpholin-4-ylethyl)-3-pentylurea has a molecular weight of 243.35 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-3-pentylurea is sourced from PubChem (CID 108988288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).