3-(2-hydroxyethyl)-1-(2-hydroxyethylcarbamoyl)-1-methylurea

C7H15N3O4 — CID 23049684

IUPAC3-(2-hydroxyethyl)-1-(2-hydroxyethylcarbamoyl)-1-methylurea
SMILESCN(C(=O)NCCO)C(=O)NCCO
InChIInChI=1S/C7H15N3O4/c1-10(6(13)8-2-4-11)7(14)9-3-5-12/h11-12H,2-5H2,1H3,(H,8,13)(H,9,14)
InChIKeyUQNFHZOQCOIBBG-UHFFFAOYSA-N
MW205.21 g/mol
LogP-1.68
Rot. Bonds4

About 3-(2-hydroxyethyl)-1-(2-hydroxyethylcarbamoyl)-1-methylurea

3-(2-hydroxyethyl)-1-(2-hydroxyethylcarbamoyl)-1-methylurea (PubChem CID 23049684) has the molecular formula C7H15N3O4 and a molecular weight of 205.21 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-1-(2-hydroxyethylcarbamoyl)-1-methylurea.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-1-(2-hydroxyethylcarbamoyl)-1-methylurea
PubChem CID23049684
Molecular FormulaC7H15N3O4
Molecular Weight205.21 g/mol
Exact Mass205.11
IUPAC Name3-(2-hydroxyethyl)-1-(2-hydroxyethylcarbamoyl)-1-methylurea
SMILESCN(C(=O)NCCO)C(=O)NCCO
InChIInChI=1S/C7H15N3O4/c1-10(6(13)8-2-4-11)7(14)9-3-5-12/h11-12H,2-5H2,1H3,(H,8,13)(H,9,14)
InChIKeyUQNFHZOQCOIBBG-UHFFFAOYSA-N
XLogP-1.68
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-1.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-1-(2-hydroxyethylcarbamoyl)-1-methylurea?
The IUPAC name of 3-(2-hydroxyethyl)-1-(2-hydroxyethylcarbamoyl)-1-methylurea (CID 23049684) is 3-(2-hydroxyethyl)-1-(2-hydroxyethylcarbamoyl)-1-methylurea.
What is the SMILES notation for 3-(2-hydroxyethyl)-1-(2-hydroxyethylcarbamoyl)-1-methylurea?
The canonical SMILES for 3-(2-hydroxyethyl)-1-(2-hydroxyethylcarbamoyl)-1-methylurea is CN(C(=O)NCCO)C(=O)NCCO.
What is the InChIKey of 3-(2-hydroxyethyl)-1-(2-hydroxyethylcarbamoyl)-1-methylurea?
The InChIKey is UQNFHZOQCOIBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O4/c1-10(6(13)8-2-4-11)7(14)9-3-5-12/h11-12H,2-5H2,1H3,(H,8,13)(H,9,14).
What are the key properties of 3-(2-hydroxyethyl)-1-(2-hydroxyethylcarbamoyl)-1-methylurea?
3-(2-hydroxyethyl)-1-(2-hydroxyethylcarbamoyl)-1-methylurea has a molecular weight of 205.21 g/mol, XLogP of -1.68, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-1-(2-hydroxyethylcarbamoyl)-1-methylurea is sourced from PubChem (CID 23049684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).