3-[3-[3-methoxy-3-(4-methylphenyl)propyl]phenyl]-1,1-dimethylurea

C20H26N2O2 — CID 86097680

IUPAC3-[3-[3-methoxy-3-(4-methylphenyl)propyl]phenyl]-1,1-dimethylurea
SMILESCOC(CCc1cccc(NC(=O)N(C)C)c1)c1ccc(C)cc1
InChIInChI=1S/C20H26N2O2/c1-15-8-11-17(12-9-15)19(24-4)13-10-16-6-5-7-18(14-16)21-20(23)22(2)3/h5-9,11-12,14,19H,10,13H2,1-4H3,(H,21,23)
InChIKeyQTWWXMMFLWCZAN-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.41
Rot. Bonds6

About 3-[3-[3-methoxy-3-(4-methylphenyl)propyl]phenyl]-1,1-dimethylurea

3-[3-[3-methoxy-3-(4-methylphenyl)propyl]phenyl]-1,1-dimethylurea (PubChem CID 86097680) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-[3-[3-methoxy-3-(4-methylphenyl)propyl]phenyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[3-[3-methoxy-3-(4-methylphenyl)propyl]phenyl]-1,1-dimethylurea
PubChem CID86097680
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-[3-[3-methoxy-3-(4-methylphenyl)propyl]phenyl]-1,1-dimethylurea
SMILESCOC(CCc1cccc(NC(=O)N(C)C)c1)c1ccc(C)cc1
InChIInChI=1S/C20H26N2O2/c1-15-8-11-17(12-9-15)19(24-4)13-10-16-6-5-7-18(14-16)21-20(23)22(2)3/h5-9,11-12,14,19H,10,13H2,1-4H3,(H,21,23)
InChIKeyQTWWXMMFLWCZAN-UHFFFAOYSA-N
XLogP4.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[3-[3-methoxy-3-(4-methylphenyl)propyl]phenyl]-1,1-dimethylurea 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

[1-(4-chlorophenyl)-3-[3-(dimethylcarbamoylamino)phenyl]propyl] acetate
CID 70423223
2-[3-(dimethylcarbamoylamino)phenyl]-N-methylacetamide
CID 54207621
3-[3-(4-cyclopentylbutyl)phenyl]-1,1-dimethylurea
CID 86029500
1,1-dimethyl-3-[3-(2,2,2-trifluoroethyl)phenyl]urea
CID 70150186
2-amino-2-(4-methylphenyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide
CID 120669180
3-[3-[3-(3,4-dichlorophenyl)propyl]phenyl]-1-methoxy-1-methylurea
CID 54419076
N-(cyclopropylmethyl)-2-[3-(dimethylcarbamoylamino)phenyl]acetamide
CID 54323644
(2S)-2-methoxy-N-[3-[[2-(4-methylphenyl)acetyl]amino]phenyl]propanamide
CID 129369597
N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)butanamide
CID 87001037
3-amino-N-[3-(3-hydroxypropyl)phenyl]-2-methoxypropanamide
CID 114145186
3-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]propanamide
CID 71929848
3-[3-(3-cyclohexylpropyl)phenyl]-1-methoxy-1-methylurea
CID 86029483

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-methoxy-3-(4-methylphenyl)propyl]phenyl]-1,1-dimethylurea?
The IUPAC name of 3-[3-[3-methoxy-3-(4-methylphenyl)propyl]phenyl]-1,1-dimethylurea (CID 86097680) is 3-[3-[3-methoxy-3-(4-methylphenyl)propyl]phenyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[3-[3-methoxy-3-(4-methylphenyl)propyl]phenyl]-1,1-dimethylurea?
The canonical SMILES for 3-[3-[3-methoxy-3-(4-methylphenyl)propyl]phenyl]-1,1-dimethylurea is COC(CCc1cccc(NC(=O)N(C)C)c1)c1ccc(C)cc1.
What is the InChIKey of 3-[3-[3-methoxy-3-(4-methylphenyl)propyl]phenyl]-1,1-dimethylurea?
The InChIKey is QTWWXMMFLWCZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15-8-11-17(12-9-15)19(24-4)13-10-16-6-5-7-18(14-16)21-20(23)22(2)3/h5-9,11-12,14,19H,10,13H2,1-4H3,(H,21,23).
What are the key properties of 3-[3-[3-methoxy-3-(4-methylphenyl)propyl]phenyl]-1,1-dimethylurea?
3-[3-[3-methoxy-3-(4-methylphenyl)propyl]phenyl]-1,1-dimethylurea has a molecular weight of 326.44 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-methoxy-3-(4-methylphenyl)propyl]phenyl]-1,1-dimethylurea is sourced from PubChem (CID 86097680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).