1-(2-ethoxy-2-methylpropyl)-3-[4-(1-hydroxyethyl)phenyl]urea

C15H24N2O3 — CID 114943941

IUPAC1-(2-ethoxy-2-methylpropyl)-3-[4-(1-hydroxyethyl)phenyl]urea
SMILESCCOC(C)(C)CNC(=O)Nc1ccc(C(C)O)cc1
InChIInChI=1S/C15H24N2O3/c1-5-20-15(3,4)10-16-14(19)17-13-8-6-12(7-9-13)11(2)18/h6-9,11,18H,5,10H2,1-4H3,(H2,16,17,19)
InChIKeyGCJBLPQUYFVVJF-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.68
Rot. Bonds6

About 1-(2-ethoxy-2-methylpropyl)-3-[4-(1-hydroxyethyl)phenyl]urea

1-(2-ethoxy-2-methylpropyl)-3-[4-(1-hydroxyethyl)phenyl]urea (PubChem CID 114943941) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(2-ethoxy-2-methylpropyl)-3-[4-(1-hydroxyethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-ethoxy-2-methylpropyl)-3-[4-(1-hydroxyethyl)phenyl]urea
PubChem CID114943941
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(2-ethoxy-2-methylpropyl)-3-[4-(1-hydroxyethyl)phenyl]urea
SMILESCCOC(C)(C)CNC(=O)Nc1ccc(C(C)O)cc1
InChIInChI=1S/C15H24N2O3/c1-5-20-15(3,4)10-16-14(19)17-13-8-6-12(7-9-13)11(2)18/h6-9,11,18H,5,10H2,1-4H3,(H2,16,17,19)
InChIKeyGCJBLPQUYFVVJF-UHFFFAOYSA-N
XLogP2.68
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-2-methylpropyl)-3-[4-(1-hydroxyethyl)phenyl]urea?
The IUPAC name of 1-(2-ethoxy-2-methylpropyl)-3-[4-(1-hydroxyethyl)phenyl]urea (CID 114943941) is 1-(2-ethoxy-2-methylpropyl)-3-[4-(1-hydroxyethyl)phenyl]urea.
What is the SMILES notation for 1-(2-ethoxy-2-methylpropyl)-3-[4-(1-hydroxyethyl)phenyl]urea?
The canonical SMILES for 1-(2-ethoxy-2-methylpropyl)-3-[4-(1-hydroxyethyl)phenyl]urea is CCOC(C)(C)CNC(=O)Nc1ccc(C(C)O)cc1.
What is the InChIKey of 1-(2-ethoxy-2-methylpropyl)-3-[4-(1-hydroxyethyl)phenyl]urea?
The InChIKey is GCJBLPQUYFVVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-20-15(3,4)10-16-14(19)17-13-8-6-12(7-9-13)11(2)18/h6-9,11,18H,5,10H2,1-4H3,(H2,16,17,19).
What are the key properties of 1-(2-ethoxy-2-methylpropyl)-3-[4-(1-hydroxyethyl)phenyl]urea?
1-(2-ethoxy-2-methylpropyl)-3-[4-(1-hydroxyethyl)phenyl]urea has a molecular weight of 280.37 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-2-methylpropyl)-3-[4-(1-hydroxyethyl)phenyl]urea is sourced from PubChem (CID 114943941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).