1-(oxolan-2-ylmethyl)-3-phenylurea

C12H16N2O2 — CID 3138274

IUPAC1-(oxolan-2-ylmethyl)-3-phenylurea
SMILESO=C(NCC1CCCO1)Nc1ccccc1
InChIInChI=1S/C12H16N2O2/c15-12(13-9-11-7-4-8-16-11)14-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,13,14,15)
InChIKeyDKETYYYWVMZJPN-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.99
Rot. Bonds3

About 1-(oxolan-2-ylmethyl)-3-phenylurea

1-(oxolan-2-ylmethyl)-3-phenylurea (PubChem CID 3138274) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-3-phenylurea.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-3-phenylurea
PubChem CID3138274
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(oxolan-2-ylmethyl)-3-phenylurea
SMILESO=C(NCC1CCCO1)Nc1ccccc1
InChIInChI=1S/C12H16N2O2/c15-12(13-9-11-7-4-8-16-11)14-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,13,14,15)
InChIKeyDKETYYYWVMZJPN-UHFFFAOYSA-N
XLogP1.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-3-phenylurea?
The IUPAC name of 1-(oxolan-2-ylmethyl)-3-phenylurea (CID 3138274) is 1-(oxolan-2-ylmethyl)-3-phenylurea.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-3-phenylurea?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-3-phenylurea is O=C(NCC1CCCO1)Nc1ccccc1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-3-phenylurea?
The InChIKey is DKETYYYWVMZJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-12(13-9-11-7-4-8-16-11)14-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,13,14,15).
What are the key properties of 1-(oxolan-2-ylmethyl)-3-phenylurea?
1-(oxolan-2-ylmethyl)-3-phenylurea has a molecular weight of 220.27 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-3-phenylurea is sourced from PubChem (CID 3138274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).