1-methoxy-1-methyl-3-(3-phenoxyphenyl)urea

C15H16N2O3 — CID 13424071

IUPAC1-methoxy-1-methyl-3-(3-phenoxyphenyl)urea
SMILESCON(C)C(=O)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H16N2O3/c1-17(19-2)15(18)16-12-7-6-10-14(11-12)20-13-8-4-3-5-9-13/h3-11H,1-2H3,(H,16,18)
InChIKeyLXPUEMDDFCQRLP-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.50
Rot. Bonds4

About 1-methoxy-1-methyl-3-(3-phenoxyphenyl)urea

1-methoxy-1-methyl-3-(3-phenoxyphenyl)urea (PubChem CID 13424071) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-methoxy-1-methyl-3-(3-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-methoxy-1-methyl-3-(3-phenoxyphenyl)urea
PubChem CID13424071
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-methoxy-1-methyl-3-(3-phenoxyphenyl)urea
SMILESCON(C)C(=O)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H16N2O3/c1-17(19-2)15(18)16-12-7-6-10-14(11-12)20-13-8-4-3-5-9-13/h3-11H,1-2H3,(H,16,18)
InChIKeyLXPUEMDDFCQRLP-UHFFFAOYSA-N
XLogP3.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2-chloroethoxy)phenyl]-1-methoxy-1-methylurea
CID 54473679
1-methyl-3-(3-phenoxyphenyl)urea
CID 47127200
1-methoxy-1-methyl-3-[3-[3-(2-methylphenyl)propoxy]phenyl]urea
CID 12953602
3-[3-(2-bromo-1,1,2-trifluoroethoxy)phenyl]-1-methoxy-1-methylurea
CID 21446419
1-methoxy-1-methyl-3-[3-(trifluoromethyl)phenyl]urea
CID 13424059
N-methoxy-3-phenoxyaniline
CID 90688975
N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide
CID 44999403
N-(3-naphthalen-2-yloxyphenyl)acetamide
CID 71156920
3-[3-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]-1-methoxy-1-methylurea
CID 12801927
4-methyl-N-(3-phenoxyphenyl)benzamide
CID 59304535
2-methyl-N-(3-phenoxyphenyl)butanamide
CID 53364670
2-methyl-2-(methylamino)-N-(3-phenoxyphenyl)propanamide
CID 62845831

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-methyl-3-(3-phenoxyphenyl)urea?
The IUPAC name of 1-methoxy-1-methyl-3-(3-phenoxyphenyl)urea (CID 13424071) is 1-methoxy-1-methyl-3-(3-phenoxyphenyl)urea.
What is the SMILES notation for 1-methoxy-1-methyl-3-(3-phenoxyphenyl)urea?
The canonical SMILES for 1-methoxy-1-methyl-3-(3-phenoxyphenyl)urea is CON(C)C(=O)Nc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 1-methoxy-1-methyl-3-(3-phenoxyphenyl)urea?
The InChIKey is LXPUEMDDFCQRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-17(19-2)15(18)16-12-7-6-10-14(11-12)20-13-8-4-3-5-9-13/h3-11H,1-2H3,(H,16,18).
What are the key properties of 1-methoxy-1-methyl-3-(3-phenoxyphenyl)urea?
1-methoxy-1-methyl-3-(3-phenoxyphenyl)urea has a molecular weight of 272.30 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-methyl-3-(3-phenoxyphenyl)urea is sourced from PubChem (CID 13424071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).