1-[(4-methoxyphenyl)methyl]-3-(7-oxaspiro[3.5]nonan-3-yl)urea

C17H24N2O3 — CID 122276518

IUPAC1-[(4-methoxyphenyl)methyl]-3-(7-oxaspiro[3.5]nonan-3-yl)urea
SMILESCOc1ccc(CNC(=O)NC2CCC23CCOCC3)cc1
InChIInChI=1S/C17H24N2O3/c1-21-14-4-2-13(3-5-14)12-18-16(20)19-15-6-7-17(15)8-10-22-11-9-17/h2-5,15H,6-12H2,1H3,(H2,18,19,20)
InChIKeyWZSDJJIUWNZAMV-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.45
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]-3-(7-oxaspiro[3.5]nonan-3-yl)urea

1-[(4-methoxyphenyl)methyl]-3-(7-oxaspiro[3.5]nonan-3-yl)urea (PubChem CID 122276518) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-(7-oxaspiro[3.5]nonan-3-yl)urea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-(7-oxaspiro[3.5]nonan-3-yl)urea
PubChem CID122276518
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-(7-oxaspiro[3.5]nonan-3-yl)urea
SMILESCOc1ccc(CNC(=O)NC2CCC23CCOCC3)cc1
InChIInChI=1S/C17H24N2O3/c1-21-14-4-2-13(3-5-14)12-18-16(20)19-15-6-7-17(15)8-10-22-11-9-17/h2-5,15H,6-12H2,1H3,(H2,18,19,20)
InChIKeyWZSDJJIUWNZAMV-UHFFFAOYSA-N
XLogP2.45
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide
CID 122276174
N'-[(4-hydroxyoxan-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 90534226
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
2-(4-fluorophenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)acetamide
CID 122276140
cis-(1R,3S)-3-[(4-methoxyphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106324061
methyl 4-(7-oxaspiro[3.5]nonan-3-ylcarbamoyl)benzoate
CID 122276170
1-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-3-[(4-methoxyphenyl)methyl]urea
CID 91923051
1-[(4-methoxyphenyl)methyl]-3-(3-methylcyclohexyl)urea
CID 47172067
N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628
1-[(4-methoxyphenyl)methyl]-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea
CID 131703048
N-(7-oxaspiro[3.5]nonan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 122276198
N-[(4-methoxyphenyl)methyl]oxane-3-carboxamide
CID 110851625

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-(7-oxaspiro[3.5]nonan-3-yl)urea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-(7-oxaspiro[3.5]nonan-3-yl)urea (CID 122276518) is 1-[(4-methoxyphenyl)methyl]-3-(7-oxaspiro[3.5]nonan-3-yl)urea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-(7-oxaspiro[3.5]nonan-3-yl)urea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-(7-oxaspiro[3.5]nonan-3-yl)urea is COc1ccc(CNC(=O)NC2CCC23CCOCC3)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-(7-oxaspiro[3.5]nonan-3-yl)urea?
The InChIKey is WZSDJJIUWNZAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-21-14-4-2-13(3-5-14)12-18-16(20)19-15-6-7-17(15)8-10-22-11-9-17/h2-5,15H,6-12H2,1H3,(H2,18,19,20).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-(7-oxaspiro[3.5]nonan-3-yl)urea?
1-[(4-methoxyphenyl)methyl]-3-(7-oxaspiro[3.5]nonan-3-yl)urea has a molecular weight of 304.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-(7-oxaspiro[3.5]nonan-3-yl)urea is sourced from PubChem (CID 122276518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).