1-(3-acetylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea

C19H22N2O4 — CID 2955056

IUPAC1-(3-acetylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
SMILESCOc1ccc(OC)c(C(C)NC(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C19H22N2O4/c1-12(17-11-16(24-3)8-9-18(17)25-4)20-19(23)21-15-7-5-6-14(10-15)13(2)22/h5-12H,1-4H3,(H2,20,21,23)
InChIKeyPAIPCIZWYHSYQB-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.79
Rot. Bonds6

About 1-(3-acetylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea

1-(3-acetylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea (PubChem CID 2955056) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
PubChem CID2955056
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name1-(3-acetylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
SMILESCOc1ccc(OC)c(C(C)NC(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C19H22N2O4/c1-12(17-11-16(24-3)8-9-18(17)25-4)20-19(23)21-15-7-5-6-14(10-15)13(2)22/h5-12H,1-4H3,(H2,20,21,23)
InChIKeyPAIPCIZWYHSYQB-UHFFFAOYSA-N
XLogP3.79
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-acetylphenyl)-3-[1-(2,5-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-(3-acetylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea (CID 2955056) is 1-(3-acetylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea is COc1ccc(OC)c(C(C)NC(=O)Nc2cccc(C(C)=O)c2)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea?
The InChIKey is PAIPCIZWYHSYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-12(17-11-16(24-3)8-9-18(17)25-4)20-19(23)21-15-7-5-6-14(10-15)13(2)22/h5-12H,1-4H3,(H2,20,21,23).
What are the key properties of 1-(3-acetylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea?
1-(3-acetylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea has a molecular weight of 342.40 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea is sourced from PubChem (CID 2955056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).