1-acetamido-3-benzylurea

C10H13N3O2 — CID 10727026

IUPAC1-acetamido-3-benzylurea
SMILESCC(=O)NNC(=O)NCc1ccccc1
InChIInChI=1S/C10H13N3O2/c1-8(14)12-13-10(15)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,14)(H2,11,13,15)
InChIKeyFOCYEDXWCJNLHD-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.54
Rot. Bonds2

About 1-acetamido-3-benzylurea

1-acetamido-3-benzylurea (PubChem CID 10727026) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-acetamido-3-benzylurea.

Molecular Properties

Compound Name1-acetamido-3-benzylurea
PubChem CID10727026
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-acetamido-3-benzylurea
SMILESCC(=O)NNC(=O)NCc1ccccc1
InChIInChI=1S/C10H13N3O2/c1-8(14)12-13-10(15)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,14)(H2,11,13,15)
InChIKeyFOCYEDXWCJNLHD-UHFFFAOYSA-N
XLogP0.54
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-acetamido-3-benzylurea?
The IUPAC name of 1-acetamido-3-benzylurea (CID 10727026) is 1-acetamido-3-benzylurea.
What is the SMILES notation for 1-acetamido-3-benzylurea?
The canonical SMILES for 1-acetamido-3-benzylurea is CC(=O)NNC(=O)NCc1ccccc1.
What is the InChIKey of 1-acetamido-3-benzylurea?
The InChIKey is FOCYEDXWCJNLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-8(14)12-13-10(15)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,14)(H2,11,13,15).
What are the key properties of 1-acetamido-3-benzylurea?
1-acetamido-3-benzylurea has a molecular weight of 207.23 g/mol, XLogP of 0.54, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-3-benzylurea is sourced from PubChem (CID 10727026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).