1-(1-hydroxyethyl)-1,3-dimethyl-3-propan-2-ylurea

C8H18N2O2 — CID 22093047

IUPAC1-(1-hydroxyethyl)-1,3-dimethyl-3-propan-2-ylurea
SMILESCC(C)N(C)C(=O)N(C)C(C)O
InChIInChI=1S/C8H18N2O2/c1-6(2)9(4)8(12)10(5)7(3)11/h6-7,11H,1-5H3
InChIKeyDDOPHHVPRKFTRI-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.72
Rot. Bonds2

About 1-(1-hydroxyethyl)-1,3-dimethyl-3-propan-2-ylurea

1-(1-hydroxyethyl)-1,3-dimethyl-3-propan-2-ylurea (PubChem CID 22093047) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-(1-hydroxyethyl)-1,3-dimethyl-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(1-hydroxyethyl)-1,3-dimethyl-3-propan-2-ylurea
PubChem CID22093047
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name1-(1-hydroxyethyl)-1,3-dimethyl-3-propan-2-ylurea
SMILESCC(C)N(C)C(=O)N(C)C(C)O
InChIInChI=1S/C8H18N2O2/c1-6(2)9(4)8(12)10(5)7(3)11/h6-7,11H,1-5H3
InChIKeyDDOPHHVPRKFTRI-UHFFFAOYSA-N
XLogP0.72
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(1-hydroxyethyl)-1,3-dimethyl-3-propan-2-ylurea?
The IUPAC name of 1-(1-hydroxyethyl)-1,3-dimethyl-3-propan-2-ylurea (CID 22093047) is 1-(1-hydroxyethyl)-1,3-dimethyl-3-propan-2-ylurea.
What is the SMILES notation for 1-(1-hydroxyethyl)-1,3-dimethyl-3-propan-2-ylurea?
The canonical SMILES for 1-(1-hydroxyethyl)-1,3-dimethyl-3-propan-2-ylurea is CC(C)N(C)C(=O)N(C)C(C)O.
What is the InChIKey of 1-(1-hydroxyethyl)-1,3-dimethyl-3-propan-2-ylurea?
The InChIKey is DDOPHHVPRKFTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-6(2)9(4)8(12)10(5)7(3)11/h6-7,11H,1-5H3.
What are the key properties of 1-(1-hydroxyethyl)-1,3-dimethyl-3-propan-2-ylurea?
1-(1-hydroxyethyl)-1,3-dimethyl-3-propan-2-ylurea has a molecular weight of 174.24 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyethyl)-1,3-dimethyl-3-propan-2-ylurea is sourced from PubChem (CID 22093047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).