1-[4-(dimethylamino)phenyl]-3-naphthalen-1-ylurea

C19H19N3O — CID 1259066

IUPAC1-[4-(dimethylamino)phenyl]-3-naphthalen-1-ylurea
SMILESCN(C)c1ccc(NC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C19H19N3O/c1-22(2)16-12-10-15(11-13-16)20-19(23)21-18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,1-2H3,(H2,20,21,23)
InChIKeyASLHLERRRGCLRB-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.55
Rot. Bonds3

About 1-[4-(dimethylamino)phenyl]-3-naphthalen-1-ylurea

1-[4-(dimethylamino)phenyl]-3-naphthalen-1-ylurea (PubChem CID 1259066) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-3-naphthalen-1-ylurea
PubChem CID1259066
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name1-[4-(dimethylamino)phenyl]-3-naphthalen-1-ylurea
SMILESCN(C)c1ccc(NC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C19H19N3O/c1-22(2)16-12-10-15(11-13-16)20-19(23)21-18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,1-2H3,(H2,20,21,23)
InChIKeyASLHLERRRGCLRB-UHFFFAOYSA-N
XLogP4.55
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-(dimethylamino)phenyl]-3-naphthalen-1-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-3-naphthalen-1-ylurea (CID 1259066) is 1-[4-(dimethylamino)phenyl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-3-naphthalen-1-ylurea is CN(C)c1ccc(NC(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-3-naphthalen-1-ylurea?
The InChIKey is ASLHLERRRGCLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-22(2)16-12-10-15(11-13-16)20-19(23)21-18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,1-2H3,(H2,20,21,23).
What are the key properties of 1-[4-(dimethylamino)phenyl]-3-naphthalen-1-ylurea?
1-[4-(dimethylamino)phenyl]-3-naphthalen-1-ylurea has a molecular weight of 305.38 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 1259066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).