1-methyl-1-(oxolan-3-ylmethyl)-3-(2-phenylethyl)urea

C15H22N2O2 — CID 91905755

IUPAC1-methyl-1-(oxolan-3-ylmethyl)-3-(2-phenylethyl)urea
SMILESCN(CC1CCOC1)C(=O)NCCc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-17(11-14-8-10-19-12-14)15(18)16-9-7-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,16,18)
InChIKeyVNZSOVVIVBGIKU-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.91
Rot. Bonds5

About 1-methyl-1-(oxolan-3-ylmethyl)-3-(2-phenylethyl)urea

1-methyl-1-(oxolan-3-ylmethyl)-3-(2-phenylethyl)urea (PubChem CID 91905755) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-methyl-1-(oxolan-3-ylmethyl)-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-methyl-1-(oxolan-3-ylmethyl)-3-(2-phenylethyl)urea
PubChem CID91905755
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-methyl-1-(oxolan-3-ylmethyl)-3-(2-phenylethyl)urea
SMILESCN(CC1CCOC1)C(=O)NCCc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-17(11-14-8-10-19-12-14)15(18)16-9-7-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,16,18)
InChIKeyVNZSOVVIVBGIKU-UHFFFAOYSA-N
XLogP1.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(oxolan-3-ylmethyl)-3-(2-phenylethyl)urea?
The IUPAC name of 1-methyl-1-(oxolan-3-ylmethyl)-3-(2-phenylethyl)urea (CID 91905755) is 1-methyl-1-(oxolan-3-ylmethyl)-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-methyl-1-(oxolan-3-ylmethyl)-3-(2-phenylethyl)urea?
The canonical SMILES for 1-methyl-1-(oxolan-3-ylmethyl)-3-(2-phenylethyl)urea is CN(CC1CCOC1)C(=O)NCCc1ccccc1.
What is the InChIKey of 1-methyl-1-(oxolan-3-ylmethyl)-3-(2-phenylethyl)urea?
The InChIKey is VNZSOVVIVBGIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17(11-14-8-10-19-12-14)15(18)16-9-7-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,16,18).
What are the key properties of 1-methyl-1-(oxolan-3-ylmethyl)-3-(2-phenylethyl)urea?
1-methyl-1-(oxolan-3-ylmethyl)-3-(2-phenylethyl)urea has a molecular weight of 262.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(oxolan-3-ylmethyl)-3-(2-phenylethyl)urea is sourced from PubChem (CID 91905755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).