1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyethyl)urea

C18H22N2O4 — CID 38223348

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyethyl)urea
SMILESCOc1ccc(CNC(=O)NCCOc2ccccc2)cc1OC
InChIInChI=1S/C18H22N2O4/c1-22-16-9-8-14(12-17(16)23-2)13-20-18(21)19-10-11-24-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H2,19,20,21)
InChIKeyAMNCBECXUPQLSL-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.58
Rot. Bonds8

About 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyethyl)urea

1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyethyl)urea (PubChem CID 38223348) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyethyl)urea.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyethyl)urea
PubChem CID38223348
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyethyl)urea
SMILESCOc1ccc(CNC(=O)NCCOc2ccccc2)cc1OC
InChIInChI=1S/C18H22N2O4/c1-22-16-9-8-14(12-17(16)23-2)13-20-18(21)19-10-11-24-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H2,19,20,21)
InChIKeyAMNCBECXUPQLSL-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
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-(3-chlorophenoxy)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 112970763
1-[2-(2-chlorophenoxy)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 112970590
1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971392
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157430
1-benzyl-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 38885485
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 108891449
1-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(2-phenoxyethyl)urea
CID 90613676
1-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111779944
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyethyl)urea
CID 108886994
1-[2-(3-methoxyphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 38885483
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenoxypropanamide
CID 10471777
N-[(3,4-dimethoxyphenyl)methyl]-4-(phenoxymethyl)benzamide
CID 112789277

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyethyl)urea?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyethyl)urea (CID 38223348) is 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyethyl)urea.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyethyl)urea?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyethyl)urea is COc1ccc(CNC(=O)NCCOc2ccccc2)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyethyl)urea?
The InChIKey is AMNCBECXUPQLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-22-16-9-8-14(12-17(16)23-2)13-20-18(21)19-10-11-24-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyethyl)urea?
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyethyl)urea has a molecular weight of 330.38 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyethyl)urea is sourced from PubChem (CID 38223348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).