1-(4-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea

C19H20N2O3 — CID 113215697

IUPAC1-(4-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
SMILESCOc1ccc(C2(NC(=O)Nc3ccc(C(C)=O)cc3)CC2)cc1
InChIInChI=1S/C19H20N2O3/c1-13(22)14-3-7-16(8-4-14)20-18(23)21-19(11-12-19)15-5-9-17(24-2)10-6-15/h3-10H,11-12H2,1-2H3,(H2,20,21,23)
InChIKeyFTCGOCUCZICHRW-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.71
Rot. Bonds5

About 1-(4-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea

1-(4-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea (PubChem CID 113215697) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
PubChem CID113215697
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-(4-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
SMILESCOc1ccc(C2(NC(=O)Nc3ccc(C(C)=O)cc3)CC2)cc1
InChIInChI=1S/C19H20N2O3/c1-13(22)14-3-7-16(8-4-14)20-18(23)21-19(11-12-19)15-5-9-17(24-2)10-6-15/h3-10H,11-12H2,1-2H3,(H2,20,21,23)
InChIKeyFTCGOCUCZICHRW-UHFFFAOYSA-N
XLogP3.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea (CID 113215697) is 1-(4-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea is COc1ccc(C2(NC(=O)Nc3ccc(C(C)=O)cc3)CC2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea?
The InChIKey is FTCGOCUCZICHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13(22)14-3-7-16(8-4-14)20-18(23)21-19(11-12-19)15-5-9-17(24-2)10-6-15/h3-10H,11-12H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(4-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea?
1-(4-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea has a molecular weight of 324.38 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea is sourced from PubChem (CID 113215697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).