1-(4-acetylphenyl)-3-[(1-methylcyclobutyl)methyl]urea

C15H20N2O2 — CID 103736201

IUPAC1-(4-acetylphenyl)-3-[(1-methylcyclobutyl)methyl]urea
SMILESCC(=O)c1ccc(NC(=O)NCC2(C)CCC2)cc1
InChIInChI=1S/C15H20N2O2/c1-11(18)12-4-6-13(7-5-12)17-14(19)16-10-15(2)8-3-9-15/h4-7H,3,8-10H2,1-2H3,(H2,16,17,19)
InChIKeyRJBYQOWIZTWEAX-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.20
Rot. Bonds4

About 1-(4-acetylphenyl)-3-[(1-methylcyclobutyl)methyl]urea

1-(4-acetylphenyl)-3-[(1-methylcyclobutyl)methyl]urea (PubChem CID 103736201) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[(1-methylcyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[(1-methylcyclobutyl)methyl]urea
PubChem CID103736201
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(4-acetylphenyl)-3-[(1-methylcyclobutyl)methyl]urea
SMILESCC(=O)c1ccc(NC(=O)NCC2(C)CCC2)cc1
InChIInChI=1S/C15H20N2O2/c1-11(18)12-4-6-13(7-5-12)17-14(19)16-10-15(2)8-3-9-15/h4-7H,3,8-10H2,1-2H3,(H2,16,17,19)
InChIKeyRJBYQOWIZTWEAX-UHFFFAOYSA-N
XLogP3.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[(1-methylcyclobutyl)methyl]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[(1-methylcyclobutyl)methyl]urea (CID 103736201) is 1-(4-acetylphenyl)-3-[(1-methylcyclobutyl)methyl]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[(1-methylcyclobutyl)methyl]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[(1-methylcyclobutyl)methyl]urea is CC(=O)c1ccc(NC(=O)NCC2(C)CCC2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[(1-methylcyclobutyl)methyl]urea?
The InChIKey is RJBYQOWIZTWEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(18)12-4-6-13(7-5-12)17-14(19)16-10-15(2)8-3-9-15/h4-7H,3,8-10H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-(4-acetylphenyl)-3-[(1-methylcyclobutyl)methyl]urea?
1-(4-acetylphenyl)-3-[(1-methylcyclobutyl)methyl]urea has a molecular weight of 260.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[(1-methylcyclobutyl)methyl]urea is sourced from PubChem (CID 103736201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).