1-(2,4-dimethoxyphenyl)-3-(3-phenoxypropyl)urea

C18H22N2O4 — CID 108883150

IUPAC1-(2,4-dimethoxyphenyl)-3-(3-phenoxypropyl)urea
SMILESCOc1ccc(NC(=O)NCCCOc2ccccc2)c(OC)c1
InChIInChI=1S/C18H22N2O4/c1-22-15-9-10-16(17(13-15)23-2)20-18(21)19-11-6-12-24-14-7-4-3-5-8-14/h3-5,7-10,13H,6,11-12H2,1-2H3,(H2,19,20,21)
InChIKeyFGRFXRNWYHKBGY-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.29
Rot. Bonds8

About 1-(2,4-dimethoxyphenyl)-3-(3-phenoxypropyl)urea

1-(2,4-dimethoxyphenyl)-3-(3-phenoxypropyl)urea (PubChem CID 108883150) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-(3-phenoxypropyl)urea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-(3-phenoxypropyl)urea
PubChem CID108883150
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name1-(2,4-dimethoxyphenyl)-3-(3-phenoxypropyl)urea
SMILESCOc1ccc(NC(=O)NCCCOc2ccccc2)c(OC)c1
InChIInChI=1S/C18H22N2O4/c1-22-15-9-10-16(17(13-15)23-2)20-18(21)19-11-6-12-24-14-7-4-3-5-8-14/h3-5,7-10,13H,6,11-12H2,1-2H3,(H2,19,20,21)
InChIKeyFGRFXRNWYHKBGY-UHFFFAOYSA-N
XLogP3.29
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-4-methoxyphenyl)-3-(2-phenoxyethyl)urea
CID 86862844
1-(2-methoxyphenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881211
2,4-dimethoxy-N-(3-phenoxypropyl)benzamide
CID 51256264
N-[3-[(2,4-dimethoxyphenyl)carbamoylamino]propyl]-2-fluorobenzamide
CID 47987974
1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-3-phenylpropyl)urea
CID 90499727
1-(2,4-dimethoxyphenyl)-3-(3-oxobutyl)urea
CID 108895113
1-(2,5-dimethoxyphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 17171312
1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883704
1-(4-bromo-2-methylphenyl)-3-(3-phenoxypropyl)urea
CID 108883260
1-[2-(dibutylamino)ethyl]-3-(2,4-dimethoxyphenyl)urea
CID 74226685
2,5-dimethoxy-N-(4-phenoxybutyl)benzamide
CID 18120226
1-(2,4-dimethoxyphenyl)-3-[(1-phenylcyclobutyl)methyl]urea
CID 113214996

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(3-phenoxypropyl)urea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(3-phenoxypropyl)urea (CID 108883150) is 1-(2,4-dimethoxyphenyl)-3-(3-phenoxypropyl)urea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-(3-phenoxypropyl)urea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-(3-phenoxypropyl)urea is COc1ccc(NC(=O)NCCCOc2ccccc2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-(3-phenoxypropyl)urea?
The InChIKey is FGRFXRNWYHKBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-22-15-9-10-16(17(13-15)23-2)20-18(21)19-11-6-12-24-14-7-4-3-5-8-14/h3-5,7-10,13H,6,11-12H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-(3-phenoxypropyl)urea?
1-(2,4-dimethoxyphenyl)-3-(3-phenoxypropyl)urea has a molecular weight of 330.38 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-(3-phenoxypropyl)urea is sourced from PubChem (CID 108883150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).