1-(2,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea

C18H22N2O3 — CID 108991641

IUPAC1-(2,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(C(C)C)cc2)c(OC)c1
InChIInChI=1S/C18H22N2O3/c1-12(2)13-5-7-14(8-6-13)19-18(21)20-16-10-9-15(22-3)11-17(16)23-4/h5-12H,1-4H3,(H2,19,20,21)
InChIKeyUWTQOUQLNSQQHA-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.47
Rot. Bonds5

About 1-(2,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea

1-(2,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea (PubChem CID 108991641) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
PubChem CID108991641
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-(2,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(C(C)C)cc2)c(OC)c1
InChIInChI=1S/C18H22N2O3/c1-12(2)13-5-7-14(8-6-13)19-18(21)20-16-10-9-15(22-3)11-17(16)23-4/h5-12H,1-4H3,(H2,19,20,21)
InChIKeyUWTQOUQLNSQQHA-UHFFFAOYSA-N
XLogP4.47
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(2,4-dimethoxyphenyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
CID 7323922
1-(2,4-dimethoxyphenyl)-3-(4-iodophenyl)urea
CID 2209592
1-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4995213
[4-[(2,4-dimethoxyphenyl)carbamoylamino]phenyl] ethyl carbonate
CID 108865595
5-(2,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109243833
1-(2,3-dihydro-1H-inden-5-yl)-3-(2,4-dimethoxyphenyl)urea
CID 969986
1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)urea
CID 17378932
1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-propan-2-ylphenyl)urea
CID 51944364
(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpropanamide
CID 97038174
1-(2,4-dimethoxyphenyl)-3-[(E)-3-methylbut-1-enyl]urea
CID 108911046
N-(2,4-dimethoxyphenyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112999258
(2,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium
CID 9101248

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea (CID 108991641) is 1-(2,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea is COc1ccc(NC(=O)Nc2ccc(C(C)C)cc2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea?
The InChIKey is UWTQOUQLNSQQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12(2)13-5-7-14(8-6-13)19-18(21)20-16-10-9-15(22-3)11-17(16)23-4/h5-12H,1-4H3,(H2,19,20,21).
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea?
1-(2,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea has a molecular weight of 314.39 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 108991641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).