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

C14H20N2O — CID 6465362

IUPAC1-propyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESCCCNC(=O)NC1CCCc2ccccc21
InChIInChI=1S/C14H20N2O/c1-2-10-15-14(17)16-13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8,13H,2,5,7,9-10H2,1H3,(H2,15,16,17)
InChIKeyXENCUJFDUJMZFG-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.77
Rot. Bonds3

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

1-propyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (PubChem CID 6465362) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-propyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-propyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
PubChem CID6465362
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-propyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESCCCNC(=O)NC1CCCc2ccccc21
InChIInChI=1S/C14H20N2O/c1-2-10-15-14(17)16-13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8,13H,2,5,7,9-10H2,1H3,(H2,15,16,17)
InChIKeyXENCUJFDUJMZFG-UHFFFAOYSA-N
XLogP2.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-propyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (CID 6465362) is 1-propyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-propyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-propyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is CCCNC(=O)NC1CCCc2ccccc21.
What is the InChIKey of 1-propyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The InChIKey is XENCUJFDUJMZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-10-15-14(17)16-13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8,13H,2,5,7,9-10H2,1H3,(H2,15,16,17).
What are the key properties of 1-propyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
1-propyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea has a molecular weight of 232.33 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 6465362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).