1-[4-(diethylamino)phenyl]-3-phenylurea

C17H21N3O — CID 732314

IUPAC1-[4-(diethylamino)phenyl]-3-phenylurea
SMILESCCN(CC)c1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C17H21N3O/c1-3-20(4-2)16-12-10-15(11-13-16)19-17(21)18-14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3,(H2,18,19,21)
InChIKeyNGGRXCCACIAMPB-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.18
Rot. Bonds5

About 1-[4-(diethylamino)phenyl]-3-phenylurea

1-[4-(diethylamino)phenyl]-3-phenylurea (PubChem CID 732314) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[4-(diethylamino)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(diethylamino)phenyl]-3-phenylurea
PubChem CID732314
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-[4-(diethylamino)phenyl]-3-phenylurea
SMILESCCN(CC)c1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C17H21N3O/c1-3-20(4-2)16-12-10-15(11-13-16)19-17(21)18-14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3,(H2,18,19,21)
InChIKeyNGGRXCCACIAMPB-UHFFFAOYSA-N
XLogP4.18
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)phenyl]-3-phenylurea?
The IUPAC name of 1-[4-(diethylamino)phenyl]-3-phenylurea (CID 732314) is 1-[4-(diethylamino)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-(diethylamino)phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-(diethylamino)phenyl]-3-phenylurea is CCN(CC)c1ccc(NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-[4-(diethylamino)phenyl]-3-phenylurea?
The InChIKey is NGGRXCCACIAMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-20(4-2)16-12-10-15(11-13-16)19-17(21)18-14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[4-(diethylamino)phenyl]-3-phenylurea?
1-[4-(diethylamino)phenyl]-3-phenylurea has a molecular weight of 283.38 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)phenyl]-3-phenylurea is sourced from PubChem (CID 732314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).