1-naphthalen-1-yl-3-propylurea

C14H16N2O — CID 5129202

IUPAC1-naphthalen-1-yl-3-propylurea
SMILESCCCNC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C14H16N2O/c1-2-10-15-14(17)16-13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3,(H2,15,16,17)
InChIKeyHMZYFFODLAXNRS-UHFFFAOYSA-N
MW228.30 g/mol
LogP3.37
Rot. Bonds3

About 1-naphthalen-1-yl-3-propylurea

1-naphthalen-1-yl-3-propylurea (PubChem CID 5129202) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-propylurea.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-propylurea
PubChem CID5129202
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-naphthalen-1-yl-3-propylurea
SMILESCCCNC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C14H16N2O/c1-2-10-15-14(17)16-13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3,(H2,15,16,17)
InChIKeyHMZYFFODLAXNRS-UHFFFAOYSA-N
XLogP3.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-propylurea?
The IUPAC name of 1-naphthalen-1-yl-3-propylurea (CID 5129202) is 1-naphthalen-1-yl-3-propylurea.
What is the SMILES notation for 1-naphthalen-1-yl-3-propylurea?
The canonical SMILES for 1-naphthalen-1-yl-3-propylurea is CCCNC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-3-propylurea?
The InChIKey is HMZYFFODLAXNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-10-15-14(17)16-13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3,(H2,15,16,17).
What are the key properties of 1-naphthalen-1-yl-3-propylurea?
1-naphthalen-1-yl-3-propylurea has a molecular weight of 228.30 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-propylurea is sourced from PubChem (CID 5129202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).