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

C18H22N2O3 — CID 108883704

IUPAC1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
SMILESCOc1ccccc1NC(=O)NCCCOc1ccccc1C
InChIInChI=1S/C18H22N2O3/c1-14-8-3-5-10-16(14)23-13-7-12-19-18(21)20-15-9-4-6-11-17(15)22-2/h3-6,8-11H,7,12-13H2,1-2H3,(H2,19,20,21)
InChIKeyUEDGPXQEDZFRGO-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.59
Rot. Bonds7

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

1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea (PubChem CID 108883704) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
PubChem CID108883704
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
SMILESCOc1ccccc1NC(=O)NCCCOc1ccccc1C
InChIInChI=1S/C18H22N2O3/c1-14-8-3-5-10-16(14)23-13-7-12-19-18(21)20-15-9-4-6-11-17(15)22-2/h3-6,8-11H,7,12-13H2,1-2H3,(H2,19,20,21)
InChIKeyUEDGPXQEDZFRGO-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-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969846
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)urea
CID 17171255
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methylphenyl)urea
CID 112971428
1-(2-methoxyphenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881211
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883971
1-(4-hydroxy-2-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883755
1-(3-aminopropyl)-3-(2-methoxyphenyl)urea
CID 62267554
1-(2,6-diethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883771
1-(2-hydroxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883846
1-ethyl-3-[3-(2-methylphenoxy)propyl]urea
CID 108883834
1-(5-chloro-2-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883820
1-[3-(2-ethoxyphenyl)propyl]-3-(2-methoxyphenyl)urea
CID 100747319

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea (CID 108883704) is 1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea is COc1ccccc1NC(=O)NCCCOc1ccccc1C.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea?
The InChIKey is UEDGPXQEDZFRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-14-8-3-5-10-16(14)23-13-7-12-19-18(21)20-15-9-4-6-11-17(15)22-2/h3-6,8-11H,7,12-13H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea?
1-(2-methoxyphenyl)-3-[3-(2-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-(2-methylphenoxy)propyl]urea is sourced from PubChem (CID 108883704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).