1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(2-phenylphenyl)urea

C24H26N2O3 — CID 171678550

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(2-phenylphenyl)urea
SMILESCOc1ccc(CCN(C)C(=O)Nc2ccccc2-c2ccccc2)cc1OC
InChIInChI=1S/C24H26N2O3/c1-26(16-15-18-13-14-22(28-2)23(17-18)29-3)24(27)25-21-12-8-7-11-20(21)19-9-5-4-6-10-19/h4-14,17H,15-16H2,1-3H3,(H,25,27)
InChIKeyHLBOIEYJXGHADU-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.08
Rot. Bonds7

About 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(2-phenylphenyl)urea

1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(2-phenylphenyl)urea (PubChem CID 171678550) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(2-phenylphenyl)urea.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(2-phenylphenyl)urea
PubChem CID171678550
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(2-phenylphenyl)urea
SMILESCOc1ccc(CCN(C)C(=O)Nc2ccccc2-c2ccccc2)cc1OC
InChIInChI=1S/C24H26N2O3/c1-26(16-15-18-13-14-22(28-2)23(17-18)29-3)24(27)25-21-12-8-7-11-20(21)19-9-5-4-6-10-19/h4-14,17H,15-16H2,1-3H3,(H,25,27)
InChIKeyHLBOIEYJXGHADU-UHFFFAOYSA-N
XLogP5.08
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-(2-phenylphenyl)propanamide
CID 26727200
3-(2,5-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea
CID 44765235
(3,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 2657545
2-(2-acetamidophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 7873862
2-(3-methoxy-4-methylphenyl)-N-(2-phenylphenyl)acetamide
CID 17476881
1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 55696677
1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)urea
CID 56554484
3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea
CID 108891376
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenoxybenzamide
CID 9468502
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 4562686
(2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpropanamide
CID 770468
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(dimethylsulfamoyl)ethyl]-1-methylurea
CID 122560234

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(2-phenylphenyl)urea?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(2-phenylphenyl)urea (CID 171678550) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(2-phenylphenyl)urea.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(2-phenylphenyl)urea?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(2-phenylphenyl)urea is COc1ccc(CCN(C)C(=O)Nc2ccccc2-c2ccccc2)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(2-phenylphenyl)urea?
The InChIKey is HLBOIEYJXGHADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-26(16-15-18-13-14-22(28-2)23(17-18)29-3)24(27)25-21-12-8-7-11-20(21)19-9-5-4-6-10-19/h4-14,17H,15-16H2,1-3H3,(H,25,27).
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(2-phenylphenyl)urea?
1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(2-phenylphenyl)urea has a molecular weight of 390.48 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(2-phenylphenyl)urea is sourced from PubChem (CID 171678550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).