1-ethyl-1-(methylcarbamoyl)-3-phenylurea

C11H15N3O2 — CID 3059242

IUPAC1-ethyl-1-(methylcarbamoyl)-3-phenylurea
SMILESCCN(C(=O)NC)C(=O)Nc1ccccc1
InChIInChI=1S/C11H15N3O2/c1-3-14(10(15)12-2)11(16)13-9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,12,15)(H,13,16)
InChIKeyLYZKIMDYWXNABA-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.88
Rot. Bonds2

About 1-ethyl-1-(methylcarbamoyl)-3-phenylurea

1-ethyl-1-(methylcarbamoyl)-3-phenylurea (PubChem CID 3059242) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-ethyl-1-(methylcarbamoyl)-3-phenylurea.

Molecular Properties

Compound Name1-ethyl-1-(methylcarbamoyl)-3-phenylurea
PubChem CID3059242
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-ethyl-1-(methylcarbamoyl)-3-phenylurea
SMILESCCN(C(=O)NC)C(=O)Nc1ccccc1
InChIInChI=1S/C11H15N3O2/c1-3-14(10(15)12-2)11(16)13-9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,12,15)(H,13,16)
InChIKeyLYZKIMDYWXNABA-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(methylcarbamoyl)-3-phenylurea?
The IUPAC name of 1-ethyl-1-(methylcarbamoyl)-3-phenylurea (CID 3059242) is 1-ethyl-1-(methylcarbamoyl)-3-phenylurea.
What is the SMILES notation for 1-ethyl-1-(methylcarbamoyl)-3-phenylurea?
The canonical SMILES for 1-ethyl-1-(methylcarbamoyl)-3-phenylurea is CCN(C(=O)NC)C(=O)Nc1ccccc1.
What is the InChIKey of 1-ethyl-1-(methylcarbamoyl)-3-phenylurea?
The InChIKey is LYZKIMDYWXNABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-3-14(10(15)12-2)11(16)13-9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,12,15)(H,13,16).
What are the key properties of 1-ethyl-1-(methylcarbamoyl)-3-phenylurea?
1-ethyl-1-(methylcarbamoyl)-3-phenylurea has a molecular weight of 221.26 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(methylcarbamoyl)-3-phenylurea is sourced from PubChem (CID 3059242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).