1-acetamido-3-benzyl-1-phenylurea

C16H17N3O2 — CID 10802921

IUPAC1-acetamido-3-benzyl-1-phenylurea
SMILESCC(=O)NN(C(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17N3O2/c1-13(20)18-19(15-10-6-3-7-11-15)16(21)17-12-14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H,17,21)(H,18,20)
InChIKeyOZADCRBGNHRPSV-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.45
Rot. Bonds3

About 1-acetamido-3-benzyl-1-phenylurea

1-acetamido-3-benzyl-1-phenylurea (PubChem CID 10802921) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-acetamido-3-benzyl-1-phenylurea.

Molecular Properties

Compound Name1-acetamido-3-benzyl-1-phenylurea
PubChem CID10802921
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-acetamido-3-benzyl-1-phenylurea
SMILESCC(=O)NN(C(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17N3O2/c1-13(20)18-19(15-10-6-3-7-11-15)16(21)17-12-14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H,17,21)(H,18,20)
InChIKeyOZADCRBGNHRPSV-UHFFFAOYSA-N
XLogP2.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.45
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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Frequently Asked Questions

What is the IUPAC name of 1-acetamido-3-benzyl-1-phenylurea?
The IUPAC name of 1-acetamido-3-benzyl-1-phenylurea (CID 10802921) is 1-acetamido-3-benzyl-1-phenylurea.
What is the SMILES notation for 1-acetamido-3-benzyl-1-phenylurea?
The canonical SMILES for 1-acetamido-3-benzyl-1-phenylurea is CC(=O)NN(C(=O)NCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-acetamido-3-benzyl-1-phenylurea?
The InChIKey is OZADCRBGNHRPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-13(20)18-19(15-10-6-3-7-11-15)16(21)17-12-14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H,17,21)(H,18,20).
What are the key properties of 1-acetamido-3-benzyl-1-phenylurea?
1-acetamido-3-benzyl-1-phenylurea has a molecular weight of 283.33 g/mol, XLogP of 2.45, 3 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-phenylurea is sourced from PubChem (CID 10802921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).