3-benzyl-1-carbamoyl-1-ethylurea

C11H15N3O2 — CID 3059248

IUPAC3-benzyl-1-carbamoyl-1-ethylurea
SMILESCCN(C(N)=O)C(=O)NCc1ccccc1
InChIInChI=1S/C11H15N3O2/c1-2-14(10(12)15)11(16)13-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,12,15)(H,13,16)
InChIKeyGJLUWRGIGROJHH-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.30
Rot. Bonds3

About 3-benzyl-1-carbamoyl-1-ethylurea

3-benzyl-1-carbamoyl-1-ethylurea (PubChem CID 3059248) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-benzyl-1-carbamoyl-1-ethylurea.

Molecular Properties

Compound Name3-benzyl-1-carbamoyl-1-ethylurea
PubChem CID3059248
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3-benzyl-1-carbamoyl-1-ethylurea
SMILESCCN(C(N)=O)C(=O)NCc1ccccc1
InChIInChI=1S/C11H15N3O2/c1-2-14(10(12)15)11(16)13-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,12,15)(H,13,16)
InChIKeyGJLUWRGIGROJHH-UHFFFAOYSA-N
XLogP1.30
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-carbamoyl-1-ethylurea?
The IUPAC name of 3-benzyl-1-carbamoyl-1-ethylurea (CID 3059248) is 3-benzyl-1-carbamoyl-1-ethylurea.
What is the SMILES notation for 3-benzyl-1-carbamoyl-1-ethylurea?
The canonical SMILES for 3-benzyl-1-carbamoyl-1-ethylurea is CCN(C(N)=O)C(=O)NCc1ccccc1.
What is the InChIKey of 3-benzyl-1-carbamoyl-1-ethylurea?
The InChIKey is GJLUWRGIGROJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-2-14(10(12)15)11(16)13-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,12,15)(H,13,16).
What are the key properties of 3-benzyl-1-carbamoyl-1-ethylurea?
3-benzyl-1-carbamoyl-1-ethylurea has a molecular weight of 221.26 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-carbamoyl-1-ethylurea is sourced from PubChem (CID 3059248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).