1-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea

C16H19N3O2 — CID 970687

IUPAC1-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C16H19N3O2/c1-19(2)14-8-4-12(5-9-14)17-16(20)18-13-6-10-15(21-3)11-7-13/h4-11H,1-3H3,(H2,17,18,20)
InChIKeyBQSGTBZOYSXJKP-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.41
Rot. Bonds4

About 1-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea

1-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea (PubChem CID 970687) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea
PubChem CID970687
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C16H19N3O2/c1-19(2)14-8-4-12(5-9-14)17-16(20)18-13-6-10-15(21-3)11-7-13/h4-11H,1-3H3,(H2,17,18,20)
InChIKeyBQSGTBZOYSXJKP-UHFFFAOYSA-N
XLogP3.41
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea (CID 970687) is 1-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea?
The InChIKey is BQSGTBZOYSXJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-19(2)14-8-4-12(5-9-14)17-16(20)18-13-6-10-15(21-3)11-7-13/h4-11H,1-3H3,(H2,17,18,20).
What are the key properties of 1-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea?
1-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea has a molecular weight of 285.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 970687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).