[(1R)-1-naphthalen-1-ylethyl]urea

C13H14N2O — CID 70796270

IUPAC[(1R)-1-naphthalen-1-ylethyl]urea
SMILESC[C@@H](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)/t9-/m1/s1
InChIKeyYDMDIYMUJCURDQ-SECBINFHSA-N
MW214.27 g/mol
LogP2.57
Rot. Bonds2

About [(1R)-1-naphthalen-1-ylethyl]urea

[(1R)-1-naphthalen-1-ylethyl]urea (PubChem CID 70796270) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is [(1R)-1-naphthalen-1-ylethyl]urea.

Molecular Properties

Compound Name[(1R)-1-naphthalen-1-ylethyl]urea
PubChem CID70796270
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name[(1R)-1-naphthalen-1-ylethyl]urea
SMILESC[C@@H](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)/t9-/m1/s1
InChIKeyYDMDIYMUJCURDQ-SECBINFHSA-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 [(1R)-1-naphthalen-1-ylethyl]urea?
The IUPAC name of [(1R)-1-naphthalen-1-ylethyl]urea (CID 70796270) is [(1R)-1-naphthalen-1-ylethyl]urea.
What is the SMILES notation for [(1R)-1-naphthalen-1-ylethyl]urea?
The canonical SMILES for [(1R)-1-naphthalen-1-ylethyl]urea is C[C@@H](NC(N)=O)c1cccc2ccccc12.
What is the InChIKey of [(1R)-1-naphthalen-1-ylethyl]urea?
The InChIKey is YDMDIYMUJCURDQ-SECBINFHSA-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)/t9-/m1/s1.
What are the key properties of [(1R)-1-naphthalen-1-ylethyl]urea?
[(1R)-1-naphthalen-1-ylethyl]urea 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 [(1R)-1-naphthalen-1-ylethyl]urea is sourced from PubChem (CID 70796270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).