1-(2-butoxy-1-methoxyethyl)-1,3,3-tris(methoxymethyl)urea

C14H30N2O6 — CID 172769812

IUPAC1-(2-butoxy-1-methoxyethyl)-1,3,3-tris(methoxymethyl)urea
SMILESCCCCOCC(OC)N(COC)C(=O)N(COC)COC
InChIInChI=1S/C14H30N2O6/c1-6-7-8-22-9-13(21-5)16(12-20-4)14(17)15(10-18-2)11-19-3/h13H,6-12H2,1-5H3
InChIKeyMUNYFJZWEHGJTH-UHFFFAOYSA-N
MW322.40 g/mol
LogP1.31
Rot. Bonds13

About 1-(2-butoxy-1-methoxyethyl)-1,3,3-tris(methoxymethyl)urea

1-(2-butoxy-1-methoxyethyl)-1,3,3-tris(methoxymethyl)urea (PubChem CID 172769812) has the molecular formula C14H30N2O6 and a molecular weight of 322.40 g/mol. Its IUPAC name is 1-(2-butoxy-1-methoxyethyl)-1,3,3-tris(methoxymethyl)urea.

Molecular Properties

Compound Name1-(2-butoxy-1-methoxyethyl)-1,3,3-tris(methoxymethyl)urea
PubChem CID172769812
Molecular FormulaC14H30N2O6
Molecular Weight322.40 g/mol
Exact Mass322.21
IUPAC Name1-(2-butoxy-1-methoxyethyl)-1,3,3-tris(methoxymethyl)urea
SMILESCCCCOCC(OC)N(COC)C(=O)N(COC)COC
InChIInChI=1S/C14H30N2O6/c1-6-7-8-22-9-13(21-5)16(12-20-4)14(17)15(10-18-2)11-19-3/h13H,6-12H2,1-5H3
InChIKeyMUNYFJZWEHGJTH-UHFFFAOYSA-N
XLogP1.31
TPSA69.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxy-1-methoxyethyl)-1,3,3-tris(methoxymethyl)urea?
The IUPAC name of 1-(2-butoxy-1-methoxyethyl)-1,3,3-tris(methoxymethyl)urea (CID 172769812) is 1-(2-butoxy-1-methoxyethyl)-1,3,3-tris(methoxymethyl)urea.
What is the SMILES notation for 1-(2-butoxy-1-methoxyethyl)-1,3,3-tris(methoxymethyl)urea?
The canonical SMILES for 1-(2-butoxy-1-methoxyethyl)-1,3,3-tris(methoxymethyl)urea is CCCCOCC(OC)N(COC)C(=O)N(COC)COC.
What is the InChIKey of 1-(2-butoxy-1-methoxyethyl)-1,3,3-tris(methoxymethyl)urea?
The InChIKey is MUNYFJZWEHGJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O6/c1-6-7-8-22-9-13(21-5)16(12-20-4)14(17)15(10-18-2)11-19-3/h13H,6-12H2,1-5H3.
What are the key properties of 1-(2-butoxy-1-methoxyethyl)-1,3,3-tris(methoxymethyl)urea?
1-(2-butoxy-1-methoxyethyl)-1,3,3-tris(methoxymethyl)urea has a molecular weight of 322.40 g/mol, XLogP of 1.31, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxy-1-methoxyethyl)-1,3,3-tris(methoxymethyl)urea is sourced from PubChem (CID 172769812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).