3-butyl-1,1-bis(2-hydroxyethyl)urea

C9H20N2O3 — CID 18371210

IUPAC3-butyl-1,1-bis(2-hydroxyethyl)urea
SMILESCCCCNC(=O)N(CCO)CCO
InChIInChI=1S/C9H20N2O3/c1-2-3-4-10-9(14)11(5-7-12)6-8-13/h12-13H,2-8H2,1H3,(H,10,14)
InChIKeyQFGFSRBQRAJVJS-UHFFFAOYSA-N
MW204.27 g/mol
LogP-0.22
Rot. Bonds7

About 3-butyl-1,1-bis(2-hydroxyethyl)urea

3-butyl-1,1-bis(2-hydroxyethyl)urea (PubChem CID 18371210) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-butyl-1,1-bis(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-butyl-1,1-bis(2-hydroxyethyl)urea
PubChem CID18371210
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name3-butyl-1,1-bis(2-hydroxyethyl)urea
SMILESCCCCNC(=O)N(CCO)CCO
InChIInChI=1S/C9H20N2O3/c1-2-3-4-10-9(14)11(5-7-12)6-8-13/h12-13H,2-8H2,1H3,(H,10,14)
InChIKeyQFGFSRBQRAJVJS-UHFFFAOYSA-N
XLogP-0.22
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.22
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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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1,1-bis(2-hydroxyethyl)urea?
The IUPAC name of 3-butyl-1,1-bis(2-hydroxyethyl)urea (CID 18371210) is 3-butyl-1,1-bis(2-hydroxyethyl)urea.
What is the SMILES notation for 3-butyl-1,1-bis(2-hydroxyethyl)urea?
The canonical SMILES for 3-butyl-1,1-bis(2-hydroxyethyl)urea is CCCCNC(=O)N(CCO)CCO.
What is the InChIKey of 3-butyl-1,1-bis(2-hydroxyethyl)urea?
The InChIKey is QFGFSRBQRAJVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-2-3-4-10-9(14)11(5-7-12)6-8-13/h12-13H,2-8H2,1H3,(H,10,14).
What are the key properties of 3-butyl-1,1-bis(2-hydroxyethyl)urea?
3-butyl-1,1-bis(2-hydroxyethyl)urea has a molecular weight of 204.27 g/mol, XLogP of -0.22, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1,1-bis(2-hydroxyethyl)urea is sourced from PubChem (CID 18371210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).