1-(3-methoxyphenyl)-3-[[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl]urea

C22H25N3O3 — CID 20928656

IUPAC1-(3-methoxyphenyl)-3-[[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl]urea
SMILESCOc1cccc(NC(=O)NCc2cc(C)n(-c3ccccc3OC)c2C)c1
InChIInChI=1S/C22H25N3O3/c1-15-12-17(16(2)25(15)20-10-5-6-11-21(20)28-4)14-23-22(26)24-18-8-7-9-19(13-18)27-3/h5-13H,14H2,1-4H3,(H2,23,24,26)
InChIKeyOULHOWZDEAZJCN-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.43
Rot. Bonds6

About 1-(3-methoxyphenyl)-3-[[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl]urea

1-(3-methoxyphenyl)-3-[[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl]urea (PubChem CID 20928656) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl]urea
PubChem CID20928656
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name1-(3-methoxyphenyl)-3-[[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl]urea
SMILESCOc1cccc(NC(=O)NCc2cc(C)n(-c3ccccc3OC)c2C)c1
InChIInChI=1S/C22H25N3O3/c1-15-12-17(16(2)25(15)20-10-5-6-11-21(20)28-4)14-23-22(26)24-18-8-7-9-19(13-18)27-3/h5-13H,14H2,1-4H3,(H2,23,24,26)
InChIKeyOULHOWZDEAZJCN-UHFFFAOYSA-N
XLogP4.43
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylcarbamoylamino]benzoate
CID 20928699
1-(3-methoxyphenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea
CID 94800208
ethyl 3-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylcarbamoylamino]benzoate
CID 20928441
1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(3-methoxyphenyl)urea
CID 122252739
1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 2207277
1-(3-methoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 3774763
1-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methyl]-3-(2-methoxyphenyl)urea
CID 20928479
[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanol
CID 39247985
1-(3-methoxyphenyl)-3-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 52510079
1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea
CID 110774912
1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3785527
1-(3-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 94516313

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl]urea (CID 20928656) is 1-(3-methoxyphenyl)-3-[[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl]urea is COc1cccc(NC(=O)NCc2cc(C)n(-c3ccccc3OC)c2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl]urea?
The InChIKey is OULHOWZDEAZJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-15-12-17(16(2)25(15)20-10-5-6-11-21(20)28-4)14-23-22(26)24-18-8-7-9-19(13-18)27-3/h5-13H,14H2,1-4H3,(H2,23,24,26).
What are the key properties of 1-(3-methoxyphenyl)-3-[[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl]urea?
1-(3-methoxyphenyl)-3-[[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl]urea has a molecular weight of 379.46 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl]urea is sourced from PubChem (CID 20928656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).