1-methyl-1-phenylmethoxyurea

C9H12N2O2 — CID 130689491

IUPAC1-methyl-1-phenylmethoxyurea
SMILESCN(OCc1ccccc1)C(N)=O
InChIInChI=1S/C9H12N2O2/c1-11(9(10)12)13-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,10,12)
InChIKeyBEAIHACWVUWWMH-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.13
Rot. Bonds3

About 1-methyl-1-phenylmethoxyurea

1-methyl-1-phenylmethoxyurea (PubChem CID 130689491) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-methyl-1-phenylmethoxyurea.

Molecular Properties

Compound Name1-methyl-1-phenylmethoxyurea
PubChem CID130689491
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-methyl-1-phenylmethoxyurea
SMILESCN(OCc1ccccc1)C(N)=O
InChIInChI=1S/C9H12N2O2/c1-11(9(10)12)13-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,10,12)
InChIKeyBEAIHACWVUWWMH-UHFFFAOYSA-N
XLogP1.13
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.13
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-methyl-1-phenylmethoxyurea?
The IUPAC name of 1-methyl-1-phenylmethoxyurea (CID 130689491) is 1-methyl-1-phenylmethoxyurea.
What is the SMILES notation for 1-methyl-1-phenylmethoxyurea?
The canonical SMILES for 1-methyl-1-phenylmethoxyurea is CN(OCc1ccccc1)C(N)=O.
What is the InChIKey of 1-methyl-1-phenylmethoxyurea?
The InChIKey is BEAIHACWVUWWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11(9(10)12)13-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,10,12).
What are the key properties of 1-methyl-1-phenylmethoxyurea?
1-methyl-1-phenylmethoxyurea has a molecular weight of 180.21 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-phenylmethoxyurea is sourced from PubChem (CID 130689491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).