[1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-yl]urea

C20H25N3O2 — CID 18678332

IUPAC[1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-yl]urea
SMILESNC(=O)NC1CCN(CCOc2ccc(Cc3ccccc3)cc2)C1
InChIInChI=1S/C20H25N3O2/c21-20(24)22-18-10-11-23(15-18)12-13-25-19-8-6-17(7-9-19)14-16-4-2-1-3-5-16/h1-9,18H,10-15H2,(H3,21,22,24)
InChIKeyBDBXUEHZDXTSSZ-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.40
Rot. Bonds7

About [1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-yl]urea

[1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-yl]urea (PubChem CID 18678332) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name[1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-yl]urea
PubChem CID18678332
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name[1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-yl]urea
SMILESNC(=O)NC1CCN(CCOc2ccc(Cc3ccccc3)cc2)C1
InChIInChI=1S/C20H25N3O2/c21-20(24)22-18-10-11-23(15-18)12-13-25-19-8-6-17(7-9-19)14-16-4-2-1-3-5-16/h1-9,18H,10-15H2,(H3,21,22,24)
InChIKeyBDBXUEHZDXTSSZ-UHFFFAOYSA-N
XLogP2.40
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-yl]urea?
The IUPAC name of [1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-yl]urea (CID 18678332) is [1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-yl]urea.
What is the SMILES notation for [1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-yl]urea?
The canonical SMILES for [1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-yl]urea is NC(=O)NC1CCN(CCOc2ccc(Cc3ccccc3)cc2)C1.
What is the InChIKey of [1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-yl]urea?
The InChIKey is BDBXUEHZDXTSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c21-20(24)22-18-10-11-23(15-18)12-13-25-19-8-6-17(7-9-19)14-16-4-2-1-3-5-16/h1-9,18H,10-15H2,(H3,21,22,24).
What are the key properties of [1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-yl]urea?
[1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-yl]urea has a molecular weight of 339.44 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-yl]urea is sourced from PubChem (CID 18678332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).