1-[(2-cyclobutyloxyphenyl)methyl]-3-(oxan-3-yl)urea

C17H24N2O3 — CID 126787197

IUPAC1-[(2-cyclobutyloxyphenyl)methyl]-3-(oxan-3-yl)urea
SMILESO=C(NCc1ccccc1OC1CCC1)NC1CCCOC1
InChIInChI=1S/C17H24N2O3/c20-17(19-14-6-4-10-21-12-14)18-11-13-5-1-2-9-16(13)22-15-7-3-8-15/h1-2,5,9,14-15H,3-4,6-8,10-12H2,(H2,18,19,20)
InChIKeyPEWRVUZSEMGQSC-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.60
Rot. Bonds5

About 1-[(2-cyclobutyloxyphenyl)methyl]-3-(oxan-3-yl)urea

1-[(2-cyclobutyloxyphenyl)methyl]-3-(oxan-3-yl)urea (PubChem CID 126787197) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[(2-cyclobutyloxyphenyl)methyl]-3-(oxan-3-yl)urea.

Molecular Properties

Compound Name1-[(2-cyclobutyloxyphenyl)methyl]-3-(oxan-3-yl)urea
PubChem CID126787197
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-[(2-cyclobutyloxyphenyl)methyl]-3-(oxan-3-yl)urea
SMILESO=C(NCc1ccccc1OC1CCC1)NC1CCCOC1
InChIInChI=1S/C17H24N2O3/c20-17(19-14-6-4-10-21-12-14)18-11-13-5-1-2-9-16(13)22-15-7-3-8-15/h1-2,5,9,14-15H,3-4,6-8,10-12H2,(H2,18,19,20)
InChIKeyPEWRVUZSEMGQSC-UHFFFAOYSA-N
XLogP2.60
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclobutyloxyphenyl)methyl]-3-(oxan-3-yl)urea?
The IUPAC name of 1-[(2-cyclobutyloxyphenyl)methyl]-3-(oxan-3-yl)urea (CID 126787197) is 1-[(2-cyclobutyloxyphenyl)methyl]-3-(oxan-3-yl)urea.
What is the SMILES notation for 1-[(2-cyclobutyloxyphenyl)methyl]-3-(oxan-3-yl)urea?
The canonical SMILES for 1-[(2-cyclobutyloxyphenyl)methyl]-3-(oxan-3-yl)urea is O=C(NCc1ccccc1OC1CCC1)NC1CCCOC1.
What is the InChIKey of 1-[(2-cyclobutyloxyphenyl)methyl]-3-(oxan-3-yl)urea?
The InChIKey is PEWRVUZSEMGQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-17(19-14-6-4-10-21-12-14)18-11-13-5-1-2-9-16(13)22-15-7-3-8-15/h1-2,5,9,14-15H,3-4,6-8,10-12H2,(H2,18,19,20).
What are the key properties of 1-[(2-cyclobutyloxyphenyl)methyl]-3-(oxan-3-yl)urea?
1-[(2-cyclobutyloxyphenyl)methyl]-3-(oxan-3-yl)urea has a molecular weight of 304.39 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclobutyloxyphenyl)methyl]-3-(oxan-3-yl)urea is sourced from PubChem (CID 126787197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).