1-benzyl-1-propoxyurea

C11H16N2O2 — CID 134896762

IUPAC1-benzyl-1-propoxyurea
SMILESCCCON(Cc1ccccc1)C(N)=O
InChIInChI=1S/C11H16N2O2/c1-2-8-15-13(11(12)14)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,12,14)
InChIKeyZJOXKLISWJTGRU-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.91
Rot. Bonds5

About 1-benzyl-1-propoxyurea

1-benzyl-1-propoxyurea (PubChem CID 134896762) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-benzyl-1-propoxyurea.

Molecular Properties

Compound Name1-benzyl-1-propoxyurea
PubChem CID134896762
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-benzyl-1-propoxyurea
SMILESCCCON(Cc1ccccc1)C(N)=O
InChIInChI=1S/C11H16N2O2/c1-2-8-15-13(11(12)14)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,12,14)
InChIKeyZJOXKLISWJTGRU-UHFFFAOYSA-N
XLogP1.91
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-propoxyurea?
The IUPAC name of 1-benzyl-1-propoxyurea (CID 134896762) is 1-benzyl-1-propoxyurea.
What is the SMILES notation for 1-benzyl-1-propoxyurea?
The canonical SMILES for 1-benzyl-1-propoxyurea is CCCON(Cc1ccccc1)C(N)=O.
What is the InChIKey of 1-benzyl-1-propoxyurea?
The InChIKey is ZJOXKLISWJTGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-8-15-13(11(12)14)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,12,14).
What are the key properties of 1-benzyl-1-propoxyurea?
1-benzyl-1-propoxyurea has a molecular weight of 208.26 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-benzyl-1-propoxyurea is sourced from PubChem (CID 134896762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).