1-(2-methoxyphenyl)-3-(phenoxymethyl)urea

C15H16N2O3 — CID 108888745

IUPAC1-(2-methoxyphenyl)-3-(phenoxymethyl)urea
SMILESCOc1ccccc1NC(=O)NCOc1ccccc1
InChIInChI=1S/C15H16N2O3/c1-19-14-10-6-5-9-13(14)17-15(18)16-11-20-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H2,16,17,18)
InChIKeyJPWCSYITOOTMGW-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.85
Rot. Bonds5

About 1-(2-methoxyphenyl)-3-(phenoxymethyl)urea

1-(2-methoxyphenyl)-3-(phenoxymethyl)urea (PubChem CID 108888745) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-(phenoxymethyl)urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-(phenoxymethyl)urea
PubChem CID108888745
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-(2-methoxyphenyl)-3-(phenoxymethyl)urea
SMILESCOc1ccccc1NC(=O)NCOc1ccccc1
InChIInChI=1S/C15H16N2O3/c1-19-14-10-6-5-9-13(14)17-15(18)16-11-20-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H2,16,17,18)
InChIKeyJPWCSYITOOTMGW-UHFFFAOYSA-N
XLogP2.85
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(methoxymethyl)-3-(2-phenoxyphenyl)urea
CID 110676062
1-(2,3-dimethylphenyl)-3-(phenoxymethyl)urea
CID 108888843
1-(2-bromophenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892327
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)urea
CID 17171255
1-(2-methoxyphenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881211
1-(2,3-dichlorophenyl)-3-(phenoxymethyl)urea
CID 108888756
1-(2-methoxy-5-methylphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892166
1-(2-chloroprop-2-enyl)-3-(2-methoxyphenyl)urea
CID 115640180
1-(phenoxymethyl)-3-(2-phenylsulfanylphenyl)urea
CID 108888842
1-(3-aminopropyl)-3-(2-methoxyphenyl)urea
CID 62267554
1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969846
1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(2-methoxyphenyl)urea
CID 121016835

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-(phenoxymethyl)urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-(phenoxymethyl)urea (CID 108888745) is 1-(2-methoxyphenyl)-3-(phenoxymethyl)urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-(phenoxymethyl)urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-(phenoxymethyl)urea is COc1ccccc1NC(=O)NCOc1ccccc1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-(phenoxymethyl)urea?
The InChIKey is JPWCSYITOOTMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-19-14-10-6-5-9-13(14)17-15(18)16-11-20-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H2,16,17,18).
What are the key properties of 1-(2-methoxyphenyl)-3-(phenoxymethyl)urea?
1-(2-methoxyphenyl)-3-(phenoxymethyl)urea has a molecular weight of 272.30 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-(phenoxymethyl)urea is sourced from PubChem (CID 108888745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).