1-(2-hydroxyethyl)-3-methyl-1-(methylcarbamoyl)urea

C6H13N3O3 — CID 19818075

IUPAC1-(2-hydroxyethyl)-3-methyl-1-(methylcarbamoyl)urea
SMILESCNC(=O)N(CCO)C(=O)NC
InChIInChI=1S/C6H13N3O3/c1-7-5(11)9(3-4-10)6(12)8-2/h10H,3-4H2,1-2H3,(H,7,11)(H,8,12)
InChIKeyOVMMKTBOVBRSEH-UHFFFAOYSA-N
MW175.19 g/mol
LogP-1.04
Rot. Bonds2

About 1-(2-hydroxyethyl)-3-methyl-1-(methylcarbamoyl)urea

1-(2-hydroxyethyl)-3-methyl-1-(methylcarbamoyl)urea (PubChem CID 19818075) has the molecular formula C6H13N3O3 and a molecular weight of 175.19 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-methyl-1-(methylcarbamoyl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-methyl-1-(methylcarbamoyl)urea
PubChem CID19818075
Molecular FormulaC6H13N3O3
Molecular Weight175.19 g/mol
Exact Mass175.10
IUPAC Name1-(2-hydroxyethyl)-3-methyl-1-(methylcarbamoyl)urea
SMILESCNC(=O)N(CCO)C(=O)NC
InChIInChI=1S/C6H13N3O3/c1-7-5(11)9(3-4-10)6(12)8-2/h10H,3-4H2,1-2H3,(H,7,11)(H,8,12)
InChIKeyOVMMKTBOVBRSEH-UHFFFAOYSA-N
XLogP-1.04
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-methyl-1-(methylcarbamoyl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-methyl-1-(methylcarbamoyl)urea (CID 19818075) is 1-(2-hydroxyethyl)-3-methyl-1-(methylcarbamoyl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-methyl-1-(methylcarbamoyl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-methyl-1-(methylcarbamoyl)urea is CNC(=O)N(CCO)C(=O)NC.
What is the InChIKey of 1-(2-hydroxyethyl)-3-methyl-1-(methylcarbamoyl)urea?
The InChIKey is OVMMKTBOVBRSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O3/c1-7-5(11)9(3-4-10)6(12)8-2/h10H,3-4H2,1-2H3,(H,7,11)(H,8,12).
What are the key properties of 1-(2-hydroxyethyl)-3-methyl-1-(methylcarbamoyl)urea?
1-(2-hydroxyethyl)-3-methyl-1-(methylcarbamoyl)urea has a molecular weight of 175.19 g/mol, XLogP of -1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-methyl-1-(methylcarbamoyl)urea is sourced from PubChem (CID 19818075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).