1-methyl-3-phenylmethoxyurea

C9H12N2O2 — CID 14227198

IUPAC1-methyl-3-phenylmethoxyurea
SMILESCNC(=O)NOCc1ccccc1
InChIInChI=1S/C9H12N2O2/c1-10-9(12)11-13-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,10,11,12)
InChIKeyFTJHXZWMVIMURD-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.05
Rot. Bonds3

About 1-methyl-3-phenylmethoxyurea

1-methyl-3-phenylmethoxyurea (PubChem CID 14227198) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-methyl-3-phenylmethoxyurea.

Molecular Properties

Compound Name1-methyl-3-phenylmethoxyurea
PubChem CID14227198
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-methyl-3-phenylmethoxyurea
SMILESCNC(=O)NOCc1ccccc1
InChIInChI=1S/C9H12N2O2/c1-10-9(12)11-13-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,10,11,12)
InChIKeyFTJHXZWMVIMURD-UHFFFAOYSA-N
XLogP1.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-chlorophenyl)methoxy]-3-methylurea
CID 87765732
(2R)-2-amino-N-phenylmethoxypropanamide
CID 54406296
2-chloro-2-methyl-N-phenylmethoxypropanamide
CID 141458556
2,3-dimethyl-4-oxo-4-(phenylmethoxyamino)but-2-enoic acid
CID 77054852
1-(2-hydroxy-3-phenylpropyl)-3-phenylmethoxyurea
CID 110937017
1-(4-hydroxycyclohexyl)-3-phenylmethoxyurea
CID 47217884
1-(2-hydroxy-1-phenylethyl)-3-phenylmethoxyurea
CID 110933498
(3R)-3-hydroxy-N-phenylmethoxybutanamide
CID 11106604
2-ethoxy-N-phenylmethoxyacetamide
CID 60669074
1-[1-(4-tert-butylphenyl)ethyl]-3-phenylmethoxyurea
CID 60561914
(phenylmethoxyamino)urea
CID 67928507
3-chloro-2,2-dimethyl-N-phenylmethoxypropanamide
CID 12593594

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenylmethoxyurea?
The IUPAC name of 1-methyl-3-phenylmethoxyurea (CID 14227198) is 1-methyl-3-phenylmethoxyurea.
What is the SMILES notation for 1-methyl-3-phenylmethoxyurea?
The canonical SMILES for 1-methyl-3-phenylmethoxyurea is CNC(=O)NOCc1ccccc1.
What is the InChIKey of 1-methyl-3-phenylmethoxyurea?
The InChIKey is FTJHXZWMVIMURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-10-9(12)11-13-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,10,11,12).
What are the key properties of 1-methyl-3-phenylmethoxyurea?
1-methyl-3-phenylmethoxyurea has a molecular weight of 180.21 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenylmethoxyurea is sourced from PubChem (CID 14227198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).