1-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

C16H22N2O2 — CID 47032264

IUPAC1-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESO=C(NCC1CCCO1)Nc1cccc2c1CCCC2
InChIInChI=1S/C16H22N2O2/c19-16(17-11-13-7-4-10-20-13)18-15-9-3-6-12-5-1-2-8-14(12)15/h3,6,9,13H,1-2,4-5,7-8,10-11H2,(H2,17,18,19)
InChIKeyFYLXPWZTILWIFN-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.87
Rot. Bonds3

About 1-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

1-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea (PubChem CID 47032264) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
PubChem CID47032264
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESO=C(NCC1CCCO1)Nc1cccc2c1CCCC2
InChIInChI=1S/C16H22N2O2/c19-16(17-11-13-7-4-10-20-13)18-15-9-3-6-12-5-1-2-8-14(12)15/h3,6,9,13H,1-2,4-5,7-8,10-11H2,(H2,17,18,19)
InChIKeyFYLXPWZTILWIFN-UHFFFAOYSA-N
XLogP2.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[3-[(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)methyl]cyclohexyl]methyl]urea
CID 43834022
1-(2-iodophenyl)-3-(oxolan-2-ylmethyl)urea
CID 47193009
1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 3764609
1-(2-methylsulfanylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 92967958
N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxolane-2-carboxamide
CID 42904447
1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47195849
1-(2,2-difluoro-1,3-benzodioxol-4-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 97453837
1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 6467733
1-(2-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethyl)urea
CID 47042572
4,5-difluoro-2-(oxolan-2-ylmethylcarbamoylamino)benzoic acid
CID 62866631
1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 95177667
1-(4-chloro-2-fluorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 28946591

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea (CID 47032264) is 1-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea is O=C(NCC1CCCO1)Nc1cccc2c1CCCC2.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The InChIKey is FYLXPWZTILWIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(17-11-13-7-4-10-20-13)18-15-9-3-6-12-5-1-2-8-14(12)15/h3,6,9,13H,1-2,4-5,7-8,10-11H2,(H2,17,18,19).
What are the key properties of 1-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
1-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea has a molecular weight of 274.36 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 47032264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).