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

C23H24N2O4 — CID 52593578

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyphenyl)urea
SMILESCOc1ccc(CCNC(=O)Nc2ccccc2Oc2ccccc2)cc1OC
InChIInChI=1S/C23H24N2O4/c1-27-21-13-12-17(16-22(21)28-2)14-15-24-23(26)25-19-10-6-7-11-20(19)29-18-8-4-3-5-9-18/h3-13,16H,14-15H2,1-2H3,(H2,24,25,26)
InChIKeyHQEKFWNLATYOCQ-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.86
Rot. Bonds8

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

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyphenyl)urea (PubChem CID 52593578) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyphenyl)urea
PubChem CID52593578
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyphenyl)urea
SMILESCOc1ccc(CCNC(=O)Nc2ccccc2Oc2ccccc2)cc1OC
InChIInChI=1S/C23H24N2O4/c1-27-21-13-12-17(16-22(21)28-2)14-15-24-23(26)25-19-10-6-7-11-20(19)29-18-8-4-3-5-9-18/h3-13,16H,14-15H2,1-2H3,(H2,24,25,26)
InChIKeyHQEKFWNLATYOCQ-UHFFFAOYSA-N
XLogP4.86
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyphenyl)urea
CID 52593579
1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108867817
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(ethoxymethyl)phenyl]urea
CID 60562580
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-methoxyphenyl)carbamoylamino]-3-phenylpropanamide
CID 42704114
ethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]benzoate
CID 13352291
1-(2-phenoxyphenyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 74225420
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970730
1-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 883790
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea
CID 108891607
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)urea
CID 7616000
1-butyl-3-(2-phenoxyphenyl)urea
CID 604054
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 51290944

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyphenyl)urea?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyphenyl)urea (CID 52593578) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyphenyl)urea.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyphenyl)urea?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyphenyl)urea is COc1ccc(CCNC(=O)Nc2ccccc2Oc2ccccc2)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyphenyl)urea?
The InChIKey is HQEKFWNLATYOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-27-21-13-12-17(16-22(21)28-2)14-15-24-23(26)25-19-10-6-7-11-20(19)29-18-8-4-3-5-9-18/h3-13,16H,14-15H2,1-2H3,(H2,24,25,26).
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyphenyl)urea?
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyphenyl)urea has a molecular weight of 392.46 g/mol, XLogP of 4.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyphenyl)urea is sourced from PubChem (CID 52593578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).