1-[[bis(2-hydroxyethyl)amino]methyl]-3-(hydroxymethyl)urea

C7H17N3O4 — CID 163829356

IUPAC1-[[bis(2-hydroxyethyl)amino]methyl]-3-(hydroxymethyl)urea
SMILESO=C(NCO)NCN(CCO)CCO
InChIInChI=1S/C7H17N3O4/c11-3-1-10(2-4-12)5-8-7(14)9-6-13/h11-13H,1-6H2,(H2,8,9,14)
InChIKeyOCILDWSTQVYGNI-UHFFFAOYSA-N
MW207.23 g/mol
LogP-2.52
Rot. Bonds7

About 1-[[bis(2-hydroxyethyl)amino]methyl]-3-(hydroxymethyl)urea

1-[[bis(2-hydroxyethyl)amino]methyl]-3-(hydroxymethyl)urea (PubChem CID 163829356) has the molecular formula C7H17N3O4 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-[[bis(2-hydroxyethyl)amino]methyl]-3-(hydroxymethyl)urea.

Molecular Properties

Compound Name1-[[bis(2-hydroxyethyl)amino]methyl]-3-(hydroxymethyl)urea
PubChem CID163829356
Molecular FormulaC7H17N3O4
Molecular Weight207.23 g/mol
Exact Mass207.12
IUPAC Name1-[[bis(2-hydroxyethyl)amino]methyl]-3-(hydroxymethyl)urea
SMILESO=C(NCO)NCN(CCO)CCO
InChIInChI=1S/C7H17N3O4/c11-3-1-10(2-4-12)5-8-7(14)9-6-13/h11-13H,1-6H2,(H2,8,9,14)
InChIKeyOCILDWSTQVYGNI-UHFFFAOYSA-N
XLogP-2.52
TPSA105.06 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-2.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[[bis(2-hydroxyethyl)amino]methyl]-3-(hydroxymethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-bis(hydroxymethyl)urea;hydrate
CID 139703272
bis(1,3-bis(hydroxymethyl)urea);hydroxymethylurea;methane
CID 158808417
1-[3-(dimethylamino)propyl]-3-(hydroxymethyl)urea
CID 19885771
(hydroxymethylcarbamoylamino)methylphosphanium chloride
CID 157403401
2-[bis(2-hydroxyethyl)amino]-N-(propylcarbamoyl)acetamide
CID 60686309
3-[bis(2-hydroxyethyl)amino]propylcarbamic acid
CID 19088424
1,3-bis(hydroxymethyl)urea;hexanedioic acid
CID 157354284
2-[bis(2-hydroxyethyl)amino]ethanol;silane
CID 173402011
copper 2-[bis(2-hydroxyethyl)amino]ethanol
CID 18952570
2-[bis(2-hydroxyethyl)amino]ethanol;cobalt
CID 161104033
2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+)
CID 22634755
2-[bis(2-hydroxyethyl)amino]ethanol;nickel(2+)
CID 159992570

Frequently Asked Questions

What is the IUPAC name of 1-[[bis(2-hydroxyethyl)amino]methyl]-3-(hydroxymethyl)urea?
The IUPAC name of 1-[[bis(2-hydroxyethyl)amino]methyl]-3-(hydroxymethyl)urea (CID 163829356) is 1-[[bis(2-hydroxyethyl)amino]methyl]-3-(hydroxymethyl)urea.
What is the SMILES notation for 1-[[bis(2-hydroxyethyl)amino]methyl]-3-(hydroxymethyl)urea?
The canonical SMILES for 1-[[bis(2-hydroxyethyl)amino]methyl]-3-(hydroxymethyl)urea is O=C(NCO)NCN(CCO)CCO.
What is the InChIKey of 1-[[bis(2-hydroxyethyl)amino]methyl]-3-(hydroxymethyl)urea?
The InChIKey is OCILDWSTQVYGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O4/c11-3-1-10(2-4-12)5-8-7(14)9-6-13/h11-13H,1-6H2,(H2,8,9,14).
What are the key properties of 1-[[bis(2-hydroxyethyl)amino]methyl]-3-(hydroxymethyl)urea?
1-[[bis(2-hydroxyethyl)amino]methyl]-3-(hydroxymethyl)urea has a molecular weight of 207.23 g/mol, XLogP of -2.52, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[bis(2-hydroxyethyl)amino]methyl]-3-(hydroxymethyl)urea is sourced from PubChem (CID 163829356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).