1-(4-methoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

C18H20N2O2 — CID 24818486

IUPAC1-(4-methoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESCOc1ccc(NC(=O)NC2CCCc3ccccc32)cc1
InChIInChI=1S/C18H20N2O2/c1-22-15-11-9-14(10-12-15)19-18(21)20-17-8-4-6-13-5-2-3-7-16(13)17/h2-3,5,7,9-12,17H,4,6,8H2,1H3,(H2,19,20,21)
InChIKeyZILFIDDOGLJYLE-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.89
Rot. Bonds3

About 1-(4-methoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

1-(4-methoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (PubChem CID 24818486) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
PubChem CID24818486
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-(4-methoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESCOc1ccc(NC(=O)NC2CCCc3ccccc32)cc1
InChIInChI=1S/C18H20N2O2/c1-22-15-11-9-14(10-12-15)19-18(21)20-17-8-4-6-13-5-2-3-7-16(13)17/h2-3,5,7,9-12,17H,4,6,8H2,1H3,(H2,19,20,21)
InChIKeyZILFIDDOGLJYLE-UHFFFAOYSA-N
XLogP3.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (CID 24818486) is 1-(4-methoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is COc1ccc(NC(=O)NC2CCCc3ccccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The InChIKey is ZILFIDDOGLJYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-22-15-11-9-14(10-12-15)19-18(21)20-17-8-4-6-13-5-2-3-7-16(13)17/h2-3,5,7,9-12,17H,4,6,8H2,1H3,(H2,19,20,21).
What are the key properties of 1-(4-methoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
1-(4-methoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea has a molecular weight of 296.37 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 24818486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).