1-naphthalen-1-yl-3-(oxolan-2-yl)urea

C15H16N2O2 — CID 108887867

IUPAC1-naphthalen-1-yl-3-(oxolan-2-yl)urea
SMILESO=C(Nc1cccc2ccccc12)NC1CCCO1
InChIInChI=1S/C15H16N2O2/c18-15(17-14-9-4-10-19-14)16-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,14H,4,9-10H2,(H2,16,17,18)
InChIKeyHWROMUMADSYYKV-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.10
Rot. Bonds2

About 1-naphthalen-1-yl-3-(oxolan-2-yl)urea

1-naphthalen-1-yl-3-(oxolan-2-yl)urea (PubChem CID 108887867) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-(oxolan-2-yl)urea.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-(oxolan-2-yl)urea
PubChem CID108887867
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-naphthalen-1-yl-3-(oxolan-2-yl)urea
SMILESO=C(Nc1cccc2ccccc12)NC1CCCO1
InChIInChI=1S/C15H16N2O2/c18-15(17-14-9-4-10-19-14)16-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,14H,4,9-10H2,(H2,16,17,18)
InChIKeyHWROMUMADSYYKV-UHFFFAOYSA-N
XLogP3.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxolan-2-yl)-3-(2-propan-2-ylphenyl)urea
CID 110706700
1-naphthalen-1-yl-3-piperidin-4-ylurea
CID 16790595
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
butyl 2-(oxolan-2-ylcarbamoylamino)benzoate
CID 108887818
N-naphthalen-1-yl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 2979685
1-(2,5-dimethylphenyl)-3-(oxolan-2-yl)urea
CID 110706691
1-(3-methylphenyl)-3-(oxolan-2-yl)urea
CID 110706685
1-[2-(methoxymethyl)cyclopentyl]-3-naphthalen-1-ylurea
CID 156609749
N-naphthalen-1-yl-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580238
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
N-cyclododecyl-N'-naphthalen-1-yloxamide
CID 108517411

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-(oxolan-2-yl)urea?
The IUPAC name of 1-naphthalen-1-yl-3-(oxolan-2-yl)urea (CID 108887867) is 1-naphthalen-1-yl-3-(oxolan-2-yl)urea.
What is the SMILES notation for 1-naphthalen-1-yl-3-(oxolan-2-yl)urea?
The canonical SMILES for 1-naphthalen-1-yl-3-(oxolan-2-yl)urea is O=C(Nc1cccc2ccccc12)NC1CCCO1.
What is the InChIKey of 1-naphthalen-1-yl-3-(oxolan-2-yl)urea?
The InChIKey is HWROMUMADSYYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-15(17-14-9-4-10-19-14)16-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,14H,4,9-10H2,(H2,16,17,18).
What are the key properties of 1-naphthalen-1-yl-3-(oxolan-2-yl)urea?
1-naphthalen-1-yl-3-(oxolan-2-yl)urea has a molecular weight of 256.31 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-(oxolan-2-yl)urea is sourced from PubChem (CID 108887867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).