1-(2-methoxyphenyl)-3-[3-(4-methylphenoxy)propyl]urea

C18H22N2O3 — CID 108881211

IUPAC1-(2-methoxyphenyl)-3-[3-(4-methylphenoxy)propyl]urea
SMILESCOc1ccccc1NC(=O)NCCCOc1ccc(C)cc1
InChIInChI=1S/C18H22N2O3/c1-14-8-10-15(11-9-14)23-13-5-12-19-18(21)20-16-6-3-4-7-17(16)22-2/h3-4,6-11H,5,12-13H2,1-2H3,(H2,19,20,21)
InChIKeyMKDRTFADHXCOER-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.59
Rot. Bonds7

About 1-(2-methoxyphenyl)-3-[3-(4-methylphenoxy)propyl]urea

1-(2-methoxyphenyl)-3-[3-(4-methylphenoxy)propyl]urea (PubChem CID 108881211) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[3-(4-methylphenoxy)propyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[3-(4-methylphenoxy)propyl]urea
PubChem CID108881211
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-(2-methoxyphenyl)-3-[3-(4-methylphenoxy)propyl]urea
SMILESCOc1ccccc1NC(=O)NCCCOc1ccc(C)cc1
InChIInChI=1S/C18H22N2O3/c1-14-8-10-15(11-9-14)23-13-5-12-19-18(21)20-16-6-3-4-7-17(16)22-2/h3-4,6-11H,5,12-13H2,1-2H3,(H2,19,20,21)
InChIKeyMKDRTFADHXCOER-UHFFFAOYSA-N
XLogP3.59
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970105
1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883704
1-(2-chlorophenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881220
1-(2,4-dimethoxyphenyl)-3-(3-phenoxypropyl)urea
CID 108883150
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)urea
CID 17171255
1-(2,3-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881295
1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969846
1-(3-aminopropyl)-3-(2-methoxyphenyl)urea
CID 62267554
butyl 2-[3-(4-methylphenoxy)propylcarbamoylamino]benzoate
CID 108881291
1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719
1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(2-methoxyphenyl)urea
CID 112974776
1-(2-methoxyphenyl)-3-(phenoxymethyl)urea
CID 108888745

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[3-(4-methylphenoxy)propyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[3-(4-methylphenoxy)propyl]urea (CID 108881211) is 1-(2-methoxyphenyl)-3-[3-(4-methylphenoxy)propyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[3-(4-methylphenoxy)propyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[3-(4-methylphenoxy)propyl]urea is COc1ccccc1NC(=O)NCCCOc1ccc(C)cc1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[3-(4-methylphenoxy)propyl]urea?
The InChIKey is MKDRTFADHXCOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-14-8-10-15(11-9-14)23-13-5-12-19-18(21)20-16-6-3-4-7-17(16)22-2/h3-4,6-11H,5,12-13H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(2-methoxyphenyl)-3-[3-(4-methylphenoxy)propyl]urea?
1-(2-methoxyphenyl)-3-[3-(4-methylphenoxy)propyl]urea has a molecular weight of 314.39 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[3-(4-methylphenoxy)propyl]urea is sourced from PubChem (CID 108881211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).