1-(3-acetylphenyl)-3-cyclooctylurea

C17H24N2O2 — CID 24818720

IUPAC1-(3-acetylphenyl)-3-cyclooctylurea
SMILESCC(=O)c1cccc(NC(=O)NC2CCCCCCC2)c1
InChIInChI=1S/C17H24N2O2/c1-13(20)14-8-7-11-16(12-14)19-17(21)18-15-9-5-3-2-4-6-10-15/h7-8,11-12,15H,2-6,9-10H2,1H3,(H2,18,19,21)
InChIKeyOCLUSWLGVXOGFF-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.12
Rot. Bonds3

About 1-(3-acetylphenyl)-3-cyclooctylurea

1-(3-acetylphenyl)-3-cyclooctylurea (PubChem CID 24818720) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-cyclooctylurea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-cyclooctylurea
PubChem CID24818720
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(3-acetylphenyl)-3-cyclooctylurea
SMILESCC(=O)c1cccc(NC(=O)NC2CCCCCCC2)c1
InChIInChI=1S/C17H24N2O2/c1-13(20)14-8-7-11-16(12-14)19-17(21)18-15-9-5-3-2-4-6-10-15/h7-8,11-12,15H,2-6,9-10H2,1H3,(H2,18,19,21)
InChIKeyOCLUSWLGVXOGFF-UHFFFAOYSA-N
XLogP4.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-cyclooctylurea?
The IUPAC name of 1-(3-acetylphenyl)-3-cyclooctylurea (CID 24818720) is 1-(3-acetylphenyl)-3-cyclooctylurea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-cyclooctylurea?
The canonical SMILES for 1-(3-acetylphenyl)-3-cyclooctylurea is CC(=O)c1cccc(NC(=O)NC2CCCCCCC2)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-cyclooctylurea?
The InChIKey is OCLUSWLGVXOGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(20)14-8-7-11-16(12-14)19-17(21)18-15-9-5-3-2-4-6-10-15/h7-8,11-12,15H,2-6,9-10H2,1H3,(H2,18,19,21).
What are the key properties of 1-(3-acetylphenyl)-3-cyclooctylurea?
1-(3-acetylphenyl)-3-cyclooctylurea has a molecular weight of 288.39 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-cyclooctylurea is sourced from PubChem (CID 24818720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).