1-(2-methoxyphenyl)-3-(7-oxaspiro[3.5]nonan-3-yl)urea

C16H22N2O3 — CID 122276523

IUPAC1-(2-methoxyphenyl)-3-(7-oxaspiro[3.5]nonan-3-yl)urea
SMILESCOc1ccccc1NC(=O)NC1CCC12CCOCC2
InChIInChI=1S/C16H22N2O3/c1-20-13-5-3-2-4-12(13)17-15(19)18-14-6-7-16(14)8-10-21-11-9-16/h2-5,14H,6-11H2,1H3,(H2,17,18,19)
InChIKeyARONZDUGRYVXHA-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.78
Rot. Bonds3

About 1-(2-methoxyphenyl)-3-(7-oxaspiro[3.5]nonan-3-yl)urea

1-(2-methoxyphenyl)-3-(7-oxaspiro[3.5]nonan-3-yl)urea (PubChem CID 122276523) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-(7-oxaspiro[3.5]nonan-3-yl)urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-(7-oxaspiro[3.5]nonan-3-yl)urea
PubChem CID122276523
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(2-methoxyphenyl)-3-(7-oxaspiro[3.5]nonan-3-yl)urea
SMILESCOc1ccccc1NC(=O)NC1CCC12CCOCC2
InChIInChI=1S/C16H22N2O3/c1-20-13-5-3-2-4-12(13)17-15(19)18-14-6-7-16(14)8-10-21-11-9-16/h2-5,14H,6-11H2,1H3,(H2,17,18,19)
InChIKeyARONZDUGRYVXHA-UHFFFAOYSA-N
XLogP2.78
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)acetamide
CID 122276372
1-(2-methoxyphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)cyclopropane-1-carboxamide
CID 122276415
methyl 2-[4-[(2-methoxyphenyl)carbamoylamino]oxan-4-yl]acetate
CID 71851664
1-[(4-methoxyphenyl)methyl]-3-(7-oxaspiro[3.5]nonan-3-yl)urea
CID 122276518
2-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)pyridine-3-carboxamide
CID 122276276
3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide
CID 122276396
1-(2-methoxyphenyl)-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 40636375
methyl 4-(7-oxaspiro[3.5]nonan-3-ylcarbamoyl)benzoate
CID 122276170
1-(2-chloro-3-methoxyphenyl)-3-(oxan-4-yl)urea
CID 72902026
1-(2-aminocyclopentyl)-3-(2-methoxyphenyl)urea
CID 63251747
1-(2-aminocycloheptyl)-3-(2-methoxyphenyl)urea
CID 63258521
1-N-cyclopropyl-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108970708

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-(7-oxaspiro[3.5]nonan-3-yl)urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-(7-oxaspiro[3.5]nonan-3-yl)urea (CID 122276523) is 1-(2-methoxyphenyl)-3-(7-oxaspiro[3.5]nonan-3-yl)urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-(7-oxaspiro[3.5]nonan-3-yl)urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-(7-oxaspiro[3.5]nonan-3-yl)urea is COc1ccccc1NC(=O)NC1CCC12CCOCC2.
What is the InChIKey of 1-(2-methoxyphenyl)-3-(7-oxaspiro[3.5]nonan-3-yl)urea?
The InChIKey is ARONZDUGRYVXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-20-13-5-3-2-4-12(13)17-15(19)18-14-6-7-16(14)8-10-21-11-9-16/h2-5,14H,6-11H2,1H3,(H2,17,18,19).
What are the key properties of 1-(2-methoxyphenyl)-3-(7-oxaspiro[3.5]nonan-3-yl)urea?
1-(2-methoxyphenyl)-3-(7-oxaspiro[3.5]nonan-3-yl)urea has a molecular weight of 290.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-(7-oxaspiro[3.5]nonan-3-yl)urea is sourced from PubChem (CID 122276523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).