1-acetamido-3-benzyl-1-methylurea

C11H15N3O2 — CID 10489168

IUPAC1-acetamido-3-benzyl-1-methylurea
SMILESCC(=O)NN(C)C(=O)NCc1ccccc1
InChIInChI=1S/C11H15N3O2/c1-9(15)13-14(2)11(16)12-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,12,16)(H,13,15)
InChIKeyWGNVZNQXZPXDLJ-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.88
Rot. Bonds2

About 1-acetamido-3-benzyl-1-methylurea

1-acetamido-3-benzyl-1-methylurea (PubChem CID 10489168) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-acetamido-3-benzyl-1-methylurea.

Molecular Properties

Compound Name1-acetamido-3-benzyl-1-methylurea
PubChem CID10489168
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-acetamido-3-benzyl-1-methylurea
SMILESCC(=O)NN(C)C(=O)NCc1ccccc1
InChIInChI=1S/C11H15N3O2/c1-9(15)13-14(2)11(16)12-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,12,16)(H,13,15)
InChIKeyWGNVZNQXZPXDLJ-UHFFFAOYSA-N
XLogP0.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-acetamido-3-benzyl-1-methylurea?
The IUPAC name of 1-acetamido-3-benzyl-1-methylurea (CID 10489168) is 1-acetamido-3-benzyl-1-methylurea.
What is the SMILES notation for 1-acetamido-3-benzyl-1-methylurea?
The canonical SMILES for 1-acetamido-3-benzyl-1-methylurea is CC(=O)NN(C)C(=O)NCc1ccccc1.
What is the InChIKey of 1-acetamido-3-benzyl-1-methylurea?
The InChIKey is WGNVZNQXZPXDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-9(15)13-14(2)11(16)12-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,12,16)(H,13,15).
What are the key properties of 1-acetamido-3-benzyl-1-methylurea?
1-acetamido-3-benzyl-1-methylurea has a molecular weight of 221.26 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-3-benzyl-1-methylurea is sourced from PubChem (CID 10489168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).