1-[2-[carbamoyl(2-hydroxyethyl)amino]butan-2-yl]-1-(2-hydroxyethyl)urea

C10H22N4O4 — CID 20557118

IUPAC1-[2-[carbamoyl(2-hydroxyethyl)amino]butan-2-yl]-1-(2-hydroxyethyl)urea
SMILESCCC(C)(N(CCO)C(N)=O)N(CCO)C(N)=O
InChIInChI=1S/C10H22N4O4/c1-3-10(2,13(4-6-15)8(11)17)14(5-7-16)9(12)18/h15-16H,3-7H2,1-2H3,(H2,11,17)(H2,12,18)
InChIKeyZTBKOWROEQJNQY-UHFFFAOYSA-N
MW262.31 g/mol
LogP-1.14
Rot. Bonds7

About 1-[2-[carbamoyl(2-hydroxyethyl)amino]butan-2-yl]-1-(2-hydroxyethyl)urea

1-[2-[carbamoyl(2-hydroxyethyl)amino]butan-2-yl]-1-(2-hydroxyethyl)urea (PubChem CID 20557118) has the molecular formula C10H22N4O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[2-[carbamoyl(2-hydroxyethyl)amino]butan-2-yl]-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[2-[carbamoyl(2-hydroxyethyl)amino]butan-2-yl]-1-(2-hydroxyethyl)urea
PubChem CID20557118
Molecular FormulaC10H22N4O4
Molecular Weight262.31 g/mol
Exact Mass262.16
IUPAC Name1-[2-[carbamoyl(2-hydroxyethyl)amino]butan-2-yl]-1-(2-hydroxyethyl)urea
SMILESCCC(C)(N(CCO)C(N)=O)N(CCO)C(N)=O
InChIInChI=1S/C10H22N4O4/c1-3-10(2,13(4-6-15)8(11)17)14(5-7-16)9(12)18/h15-16H,3-7H2,1-2H3,(H2,11,17)(H2,12,18)
InChIKeyZTBKOWROEQJNQY-UHFFFAOYSA-N
XLogP-1.14
TPSA133.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[carbamoyl(2-hydroxyethyl)amino]butan-2-yl]-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-[2-[carbamoyl(2-hydroxyethyl)amino]butan-2-yl]-1-(2-hydroxyethyl)urea (CID 20557118) is 1-[2-[carbamoyl(2-hydroxyethyl)amino]butan-2-yl]-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[2-[carbamoyl(2-hydroxyethyl)amino]butan-2-yl]-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[2-[carbamoyl(2-hydroxyethyl)amino]butan-2-yl]-1-(2-hydroxyethyl)urea is CCC(C)(N(CCO)C(N)=O)N(CCO)C(N)=O.
What is the InChIKey of 1-[2-[carbamoyl(2-hydroxyethyl)amino]butan-2-yl]-1-(2-hydroxyethyl)urea?
The InChIKey is ZTBKOWROEQJNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O4/c1-3-10(2,13(4-6-15)8(11)17)14(5-7-16)9(12)18/h15-16H,3-7H2,1-2H3,(H2,11,17)(H2,12,18).
What are the key properties of 1-[2-[carbamoyl(2-hydroxyethyl)amino]butan-2-yl]-1-(2-hydroxyethyl)urea?
1-[2-[carbamoyl(2-hydroxyethyl)amino]butan-2-yl]-1-(2-hydroxyethyl)urea has a molecular weight of 262.31 g/mol, XLogP of -1.14, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[carbamoyl(2-hydroxyethyl)amino]butan-2-yl]-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 20557118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).