3-(4-acetylphenyl)-1,1-dibutylurea

C17H26N2O2 — CID 10968248

IUPAC3-(4-acetylphenyl)-1,1-dibutylurea
SMILESCCCCN(CCCC)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C17H26N2O2/c1-4-6-12-19(13-7-5-2)17(21)18-16-10-8-15(9-11-16)14(3)20/h8-11H,4-7,12-13H2,1-3H3,(H,18,21)
InChIKeyRHZRGNBQZOEJJF-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.32
Rot. Bonds8

About 3-(4-acetylphenyl)-1,1-dibutylurea

3-(4-acetylphenyl)-1,1-dibutylurea (PubChem CID 10968248) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(4-acetylphenyl)-1,1-dibutylurea.

Molecular Properties

Compound Name3-(4-acetylphenyl)-1,1-dibutylurea
PubChem CID10968248
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-(4-acetylphenyl)-1,1-dibutylurea
SMILESCCCCN(CCCC)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C17H26N2O2/c1-4-6-12-19(13-7-5-2)17(21)18-16-10-8-15(9-11-16)14(3)20/h8-11H,4-7,12-13H2,1-3H3,(H,18,21)
InChIKeyRHZRGNBQZOEJJF-UHFFFAOYSA-N
XLogP4.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylphenyl)-1,1-dibutylurea?
The IUPAC name of 3-(4-acetylphenyl)-1,1-dibutylurea (CID 10968248) is 3-(4-acetylphenyl)-1,1-dibutylurea.
What is the SMILES notation for 3-(4-acetylphenyl)-1,1-dibutylurea?
The canonical SMILES for 3-(4-acetylphenyl)-1,1-dibutylurea is CCCCN(CCCC)C(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of 3-(4-acetylphenyl)-1,1-dibutylurea?
The InChIKey is RHZRGNBQZOEJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-6-12-19(13-7-5-2)17(21)18-16-10-8-15(9-11-16)14(3)20/h8-11H,4-7,12-13H2,1-3H3,(H,18,21).
What are the key properties of 3-(4-acetylphenyl)-1,1-dibutylurea?
3-(4-acetylphenyl)-1,1-dibutylurea has a molecular weight of 290.41 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylphenyl)-1,1-dibutylurea is sourced from PubChem (CID 10968248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).