1-(2-methoxyphenoxy)-3,3-dimethyl-1-phenylurea

C16H18N2O3 — CID 88796958

IUPAC1-(2-methoxyphenoxy)-3,3-dimethyl-1-phenylurea
SMILESCOc1ccccc1ON(C(=O)N(C)C)c1ccccc1
InChIInChI=1S/C16H18N2O3/c1-17(2)16(19)18(13-9-5-4-6-10-13)21-15-12-8-7-11-14(15)20-3/h4-12H,1-3H3
InChIKeyKABUQXMBCNWDCB-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.18
Rot. Bonds4

About 1-(2-methoxyphenoxy)-3,3-dimethyl-1-phenylurea

1-(2-methoxyphenoxy)-3,3-dimethyl-1-phenylurea (PubChem CID 88796958) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(2-methoxyphenoxy)-3,3-dimethyl-1-phenylurea.

Molecular Properties

Compound Name1-(2-methoxyphenoxy)-3,3-dimethyl-1-phenylurea
PubChem CID88796958
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-(2-methoxyphenoxy)-3,3-dimethyl-1-phenylurea
SMILESCOc1ccccc1ON(C(=O)N(C)C)c1ccccc1
InChIInChI=1S/C16H18N2O3/c1-17(2)16(19)18(13-9-5-4-6-10-13)21-15-12-8-7-11-14(15)20-3/h4-12H,1-3H3
InChIKeyKABUQXMBCNWDCB-UHFFFAOYSA-N
XLogP3.18
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-methoxyphenoxy)-3,3-dimethyl-1-phenylurea?
The IUPAC name of 1-(2-methoxyphenoxy)-3,3-dimethyl-1-phenylurea (CID 88796958) is 1-(2-methoxyphenoxy)-3,3-dimethyl-1-phenylurea.
What is the SMILES notation for 1-(2-methoxyphenoxy)-3,3-dimethyl-1-phenylurea?
The canonical SMILES for 1-(2-methoxyphenoxy)-3,3-dimethyl-1-phenylurea is COc1ccccc1ON(C(=O)N(C)C)c1ccccc1.
What is the InChIKey of 1-(2-methoxyphenoxy)-3,3-dimethyl-1-phenylurea?
The InChIKey is KABUQXMBCNWDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-17(2)16(19)18(13-9-5-4-6-10-13)21-15-12-8-7-11-14(15)20-3/h4-12H,1-3H3.
What are the key properties of 1-(2-methoxyphenoxy)-3,3-dimethyl-1-phenylurea?
1-(2-methoxyphenoxy)-3,3-dimethyl-1-phenylurea has a molecular weight of 286.33 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenoxy)-3,3-dimethyl-1-phenylurea is sourced from PubChem (CID 88796958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).