1-(4-aminophenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

C17H19N3O — CID 43468950

IUPAC1-(4-aminophenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESNc1ccc(NC(=O)Nc2cccc3c2CCCC3)cc1
InChIInChI=1S/C17H19N3O/c18-13-8-10-14(11-9-13)19-17(21)20-16-7-3-5-12-4-1-2-6-15(12)16/h3,5,7-11H,1-2,4,6,18H2,(H2,19,20,21)
InChIKeyAEEFQPKTJCQXJH-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.79
Rot. Bonds2

About 1-(4-aminophenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

1-(4-aminophenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea (PubChem CID 43468950) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
PubChem CID43468950
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-(4-aminophenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESNc1ccc(NC(=O)Nc2cccc3c2CCCC3)cc1
InChIInChI=1S/C17H19N3O/c18-13-8-10-14(11-9-13)19-17(21)20-16-7-3-5-12-4-1-2-6-15(12)16/h3,5,7-11H,1-2,4,6,18H2,(H2,19,20,21)
InChIKeyAEEFQPKTJCQXJH-UHFFFAOYSA-N
XLogP3.79
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-(4-aminophenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea (CID 43468950) is 1-(4-aminophenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-(4-aminophenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-(4-aminophenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea is Nc1ccc(NC(=O)Nc2cccc3c2CCCC3)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The InChIKey is AEEFQPKTJCQXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-13-8-10-14(11-9-13)19-17(21)20-16-7-3-5-12-4-1-2-6-15(12)16/h3,5,7-11H,1-2,4,6,18H2,(H2,19,20,21).
What are the key properties of 1-(4-aminophenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
1-(4-aminophenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea has a molecular weight of 281.36 g/mol, XLogP of 3.79, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 43468950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).