1-[(4-methylphenyl)methyl]-3-(2-oxoethyl)urea

C11H14N2O2 — CID 117235569

IUPAC1-[(4-methylphenyl)methyl]-3-(2-oxoethyl)urea
SMILESCc1ccc(CNC(=O)NCC=O)cc1
InChIInChI=1S/C11H14N2O2/c1-9-2-4-10(5-3-9)8-13-11(15)12-6-7-14/h2-5,7H,6,8H2,1H3,(H2,12,13,15)
InChIKeyLLIPOKTWMOFWHM-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.99
Rot. Bonds4

About 1-[(4-methylphenyl)methyl]-3-(2-oxoethyl)urea

1-[(4-methylphenyl)methyl]-3-(2-oxoethyl)urea (PubChem CID 117235569) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-3-(2-oxoethyl)urea.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-3-(2-oxoethyl)urea
PubChem CID117235569
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name1-[(4-methylphenyl)methyl]-3-(2-oxoethyl)urea
SMILESCc1ccc(CNC(=O)NCC=O)cc1
InChIInChI=1S/C11H14N2O2/c1-9-2-4-10(5-3-9)8-13-11(15)12-6-7-14/h2-5,7H,6,8H2,1H3,(H2,12,13,15)
InChIKeyLLIPOKTWMOFWHM-UHFFFAOYSA-N
XLogP0.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-3-(2-oxoethyl)urea?
The IUPAC name of 1-[(4-methylphenyl)methyl]-3-(2-oxoethyl)urea (CID 117235569) is 1-[(4-methylphenyl)methyl]-3-(2-oxoethyl)urea.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-3-(2-oxoethyl)urea?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-3-(2-oxoethyl)urea is Cc1ccc(CNC(=O)NCC=O)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-3-(2-oxoethyl)urea?
The InChIKey is LLIPOKTWMOFWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-9-2-4-10(5-3-9)8-13-11(15)12-6-7-14/h2-5,7H,6,8H2,1H3,(H2,12,13,15).
What are the key properties of 1-[(4-methylphenyl)methyl]-3-(2-oxoethyl)urea?
1-[(4-methylphenyl)methyl]-3-(2-oxoethyl)urea has a molecular weight of 206.24 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-3-(2-oxoethyl)urea is sourced from PubChem (CID 117235569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).