1-(diethylamino)-3-phenylurea

C11H17N3O — CID 552344

IUPAC1-(diethylamino)-3-phenylurea
SMILESCCN(CC)NC(=O)Nc1ccccc1
InChIInChI=1S/C11H17N3O/c1-3-14(4-2)13-11(15)12-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H2,12,13,15)
InChIKeyADOCDMSSTUOPFA-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.06
Rot. Bonds4

About 1-(diethylamino)-3-phenylurea

1-(diethylamino)-3-phenylurea (PubChem CID 552344) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(diethylamino)-3-phenylurea.

Molecular Properties

Compound Name1-(diethylamino)-3-phenylurea
PubChem CID552344
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(diethylamino)-3-phenylurea
SMILESCCN(CC)NC(=O)Nc1ccccc1
InChIInChI=1S/C11H17N3O/c1-3-14(4-2)13-11(15)12-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H2,12,13,15)
InChIKeyADOCDMSSTUOPFA-UHFFFAOYSA-N
XLogP2.06
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.06
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-(diethylamino)-3-phenylurea?
The IUPAC name of 1-(diethylamino)-3-phenylurea (CID 552344) is 1-(diethylamino)-3-phenylurea.
What is the SMILES notation for 1-(diethylamino)-3-phenylurea?
The canonical SMILES for 1-(diethylamino)-3-phenylurea is CCN(CC)NC(=O)Nc1ccccc1.
What is the InChIKey of 1-(diethylamino)-3-phenylurea?
The InChIKey is ADOCDMSSTUOPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-14(4-2)13-11(15)12-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-(diethylamino)-3-phenylurea?
1-(diethylamino)-3-phenylurea has a molecular weight of 207.28 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-phenylurea is sourced from PubChem (CID 552344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).