1,3-bis(hexoxymethyl)urea

C15H32N2O3 — CID 88804081

IUPAC1,3-bis(hexoxymethyl)urea
SMILESCCCCCCOCNC(=O)NCOCCCCCC
InChIInChI=1S/C15H32N2O3/c1-3-5-7-9-11-19-13-16-15(18)17-14-20-12-10-8-6-4-2/h3-14H2,1-2H3,(H2,16,17,18)
InChIKeyRRZRFLUALUMLPP-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.39
Rot. Bonds14

About 1,3-bis(hexoxymethyl)urea

1,3-bis(hexoxymethyl)urea (PubChem CID 88804081) has the molecular formula C15H32N2O3 and a molecular weight of 288.43 g/mol. Its IUPAC name is 1,3-bis(hexoxymethyl)urea.

Molecular Properties

Compound Name1,3-bis(hexoxymethyl)urea
PubChem CID88804081
Molecular FormulaC15H32N2O3
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Name1,3-bis(hexoxymethyl)urea
SMILESCCCCCCOCNC(=O)NCOCCCCCC
InChIInChI=1S/C15H32N2O3/c1-3-5-7-9-11-19-13-16-15(18)17-14-20-12-10-8-6-4-2/h3-14H2,1-2H3,(H2,16,17,18)
InChIKeyRRZRFLUALUMLPP-UHFFFAOYSA-N
XLogP3.39
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.39
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-methyl-N-(octadecoxymethyl)prop-2-enamide
CID 54316435
1-(4-hydroxyphenyl)-3-(octadecoxymethyl)urea
CID 58971821
CID 159860963
CID 159860963
2-methyl-N-(pentoxymethyl)but-2-enamide
CID 141202882
disodium;1-octadecoxyoctadecane;carbonate
CID 175470483
N-(heptoxymethyl)ethanamine
CID 123451436
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-decoxydocosane
CID 87077677
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-dodecoxyhexadecane
CID 22256973

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(hexoxymethyl)urea?
The IUPAC name of 1,3-bis(hexoxymethyl)urea (CID 88804081) is 1,3-bis(hexoxymethyl)urea.
What is the SMILES notation for 1,3-bis(hexoxymethyl)urea?
The canonical SMILES for 1,3-bis(hexoxymethyl)urea is CCCCCCOCNC(=O)NCOCCCCCC.
What is the InChIKey of 1,3-bis(hexoxymethyl)urea?
The InChIKey is RRZRFLUALUMLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3/c1-3-5-7-9-11-19-13-16-15(18)17-14-20-12-10-8-6-4-2/h3-14H2,1-2H3,(H2,16,17,18).
What are the key properties of 1,3-bis(hexoxymethyl)urea?
1,3-bis(hexoxymethyl)urea has a molecular weight of 288.43 g/mol, XLogP of 3.39, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(hexoxymethyl)urea is sourced from PubChem (CID 88804081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).