1-(3-acetylphenyl)-3-(1-adamantyl)urea

C19H24N2O2 — CID 59168644

IUPAC1-(3-acetylphenyl)-3-(1-adamantyl)urea
SMILESCC(=O)c1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C19H24N2O2/c1-12(22)16-3-2-4-17(8-16)20-18(23)21-19-9-13-5-14(10-19)7-15(6-13)11-19/h2-4,8,13-15H,5-7,9-11H2,1H3,(H2,20,21,23)
InChIKeyOMZAZJUVSGJERZ-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.98
Rot. Bonds3

About 1-(3-acetylphenyl)-3-(1-adamantyl)urea

1-(3-acetylphenyl)-3-(1-adamantyl)urea (PubChem CID 59168644) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-(1-adamantyl)urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-(1-adamantyl)urea
PubChem CID59168644
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-(3-acetylphenyl)-3-(1-adamantyl)urea
SMILESCC(=O)c1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C19H24N2O2/c1-12(22)16-3-2-4-17(8-16)20-18(23)21-19-9-13-5-14(10-19)7-15(6-13)11-19/h2-4,8,13-15H,5-7,9-11H2,1H3,(H2,20,21,23)
InChIKeyOMZAZJUVSGJERZ-UHFFFAOYSA-N
XLogP3.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.98
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-(1-adamantyl)urea?
The IUPAC name of 1-(3-acetylphenyl)-3-(1-adamantyl)urea (CID 59168644) is 1-(3-acetylphenyl)-3-(1-adamantyl)urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-(1-adamantyl)urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-(1-adamantyl)urea is CC(=O)c1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-(1-adamantyl)urea?
The InChIKey is OMZAZJUVSGJERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-12(22)16-3-2-4-17(8-16)20-18(23)21-19-9-13-5-14(10-19)7-15(6-13)11-19/h2-4,8,13-15H,5-7,9-11H2,1H3,(H2,20,21,23).
What are the key properties of 1-(3-acetylphenyl)-3-(1-adamantyl)urea?
1-(3-acetylphenyl)-3-(1-adamantyl)urea has a molecular weight of 312.41 g/mol, XLogP of 3.98, 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-(1-adamantyl)urea is sourced from PubChem (CID 59168644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).