1-naphthalen-1-ylethylurea

C13H14N2O — CID 19996302

IUPAC1-naphthalen-1-ylethylurea
SMILESCC(NC(N)=O)c1cccc2ccccc12
InChIInChI=1S/C13H14N2O/c1-9(15-13(14)16)11-8-4-6-10-5-2-3-7-12(10)11/h2-9H,1H3,(H3,14,15,16)
InChIKeyYDMDIYMUJCURDQ-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.57
Rot. Bonds2

About 1-naphthalen-1-ylethylurea

1-naphthalen-1-ylethylurea (PubChem CID 19996302) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-naphthalen-1-ylethylurea.

Molecular Properties

Compound Name1-naphthalen-1-ylethylurea
PubChem CID19996302
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1-naphthalen-1-ylethylurea
SMILESCC(NC(N)=O)c1cccc2ccccc12
InChIInChI=1S/C13H14N2O/c1-9(15-13(14)16)11-8-4-6-10-5-2-3-7-12(10)11/h2-9H,1H3,(H3,14,15,16)
InChIKeyYDMDIYMUJCURDQ-UHFFFAOYSA-N
XLogP2.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-ylethylurea?
The IUPAC name of 1-naphthalen-1-ylethylurea (CID 19996302) is 1-naphthalen-1-ylethylurea.
What is the SMILES notation for 1-naphthalen-1-ylethylurea?
The canonical SMILES for 1-naphthalen-1-ylethylurea is CC(NC(N)=O)c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-ylethylurea?
The InChIKey is YDMDIYMUJCURDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9(15-13(14)16)11-8-4-6-10-5-2-3-7-12(10)11/h2-9H,1H3,(H3,14,15,16).
What are the key properties of 1-naphthalen-1-ylethylurea?
1-naphthalen-1-ylethylurea has a molecular weight of 214.27 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-ylethylurea is sourced from PubChem (CID 19996302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).