1-[(E)-but-1-enyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea

C15H22N2O3 — CID 108910581

IUPAC1-[(E)-but-1-enyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea
SMILESCC/C=C/NC(=O)NC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H22N2O3/c1-5-6-9-16-15(18)17-11(2)12-7-8-13(19-3)14(10-12)20-4/h6-11H,5H2,1-4H3,(H2,16,17,18)/b9-6+
InChIKeyBARGZPOFGAYOLW-RMKNXTFCSA-N
MW278.35 g/mol
LogP2.99
Rot. Bonds6

About 1-[(E)-but-1-enyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea

1-[(E)-but-1-enyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea (PubChem CID 108910581) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[(E)-but-1-enyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(E)-but-1-enyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea
PubChem CID108910581
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[(E)-but-1-enyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea
SMILESCC/C=C/NC(=O)NC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H22N2O3/c1-5-6-9-16-15(18)17-11(2)12-7-8-13(19-3)14(10-12)20-4/h6-11H,5H2,1-4H3,(H2,16,17,18)/b9-6+
InChIKeyBARGZPOFGAYOLW-RMKNXTFCSA-N
XLogP2.99
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(E)-but-1-enyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-1-enyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea?
The IUPAC name of 1-[(E)-but-1-enyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea (CID 108910581) is 1-[(E)-but-1-enyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[(E)-but-1-enyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[(E)-but-1-enyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea is CC/C=C/NC(=O)NC(C)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-[(E)-but-1-enyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea?
The InChIKey is BARGZPOFGAYOLW-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-5-6-9-16-15(18)17-11(2)12-7-8-13(19-3)14(10-12)20-4/h6-11H,5H2,1-4H3,(H2,16,17,18)/b9-6+.
What are the key properties of 1-[(E)-but-1-enyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea?
1-[(E)-but-1-enyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea has a molecular weight of 278.35 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-1-enyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea is sourced from PubChem (CID 108910581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).