1-[3-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyethyl)urea

C15H24N2O4 — CID 48559736

IUPAC1-[3-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H24N2O4/c1-19-10-9-17-15(18)16-8-4-5-12-6-7-13(20-2)14(11-12)21-3/h6-7,11H,4-5,8-10H2,1-3H3,(H2,16,17,18)
InChIKeyIJUYEEYRANZDIW-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.58
Rot. Bonds9

About 1-[3-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyethyl)urea

1-[3-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyethyl)urea (PubChem CID 48559736) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[3-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[3-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyethyl)urea
PubChem CID48559736
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name1-[3-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H24N2O4/c1-19-10-9-17-15(18)16-8-4-5-12-6-7-13(20-2)14(11-12)21-3/h6-7,11H,4-5,8-10H2,1-3H3,(H2,16,17,18)
InChIKeyIJUYEEYRANZDIW-UHFFFAOYSA-N
XLogP1.58
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2250640
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
1-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylurea
CID 48559749
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157430
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(methylamino)acetamide
CID 119754650
3-[3-(3,4-dimethoxyphenyl)propyl]-1-hydroxy-1-methylurea
CID 15675522
N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]propyl]formamide
CID 108891394
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 51290944
2-(3-bromophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide
CID 99609358
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095683
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891453
1-[2-(4-bromophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891454

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[3-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyethyl)urea (CID 48559736) is 1-[3-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[3-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[3-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyethyl)urea is COCCNC(=O)NCCCc1ccc(OC)c(OC)c1.
What is the InChIKey of 1-[3-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyethyl)urea?
The InChIKey is IJUYEEYRANZDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-19-10-9-17-15(18)16-8-4-5-12-6-7-13(20-2)14(11-12)21-3/h6-7,11H,4-5,8-10H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-[3-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyethyl)urea?
1-[3-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyethyl)urea has a molecular weight of 296.37 g/mol, XLogP of 1.58, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 48559736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).