1-(2-hydroxyethyl)-1,3-di(propan-2-yl)urea

C9H20N2O2 — CID 43574138

IUPAC1-(2-hydroxyethyl)-1,3-di(propan-2-yl)urea
SMILESCC(C)NC(=O)N(CCO)C(C)C
InChIInChI=1S/C9H20N2O2/c1-7(2)10-9(13)11(5-6-12)8(3)4/h7-8,12H,5-6H2,1-4H3,(H,10,13)
InChIKeyDNLAOKYGDQBLMH-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.81
Rot. Bonds4

About 1-(2-hydroxyethyl)-1,3-di(propan-2-yl)urea

1-(2-hydroxyethyl)-1,3-di(propan-2-yl)urea (PubChem CID 43574138) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1,3-di(propan-2-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1,3-di(propan-2-yl)urea
PubChem CID43574138
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name1-(2-hydroxyethyl)-1,3-di(propan-2-yl)urea
SMILESCC(C)NC(=O)N(CCO)C(C)C
InChIInChI=1S/C9H20N2O2/c1-7(2)10-9(13)11(5-6-12)8(3)4/h7-8,12H,5-6H2,1-4H3,(H,10,13)
InChIKeyDNLAOKYGDQBLMH-UHFFFAOYSA-N
XLogP0.81
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1,3-di(propan-2-yl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-1,3-di(propan-2-yl)urea (CID 43574138) is 1-(2-hydroxyethyl)-1,3-di(propan-2-yl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1,3-di(propan-2-yl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-1,3-di(propan-2-yl)urea is CC(C)NC(=O)N(CCO)C(C)C.
What is the InChIKey of 1-(2-hydroxyethyl)-1,3-di(propan-2-yl)urea?
The InChIKey is DNLAOKYGDQBLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-7(2)10-9(13)11(5-6-12)8(3)4/h7-8,12H,5-6H2,1-4H3,(H,10,13).
What are the key properties of 1-(2-hydroxyethyl)-1,3-di(propan-2-yl)urea?
1-(2-hydroxyethyl)-1,3-di(propan-2-yl)urea has a molecular weight of 188.27 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1,3-di(propan-2-yl)urea is sourced from PubChem (CID 43574138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).