ethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]benzoate

C20H24N2O5 — CID 13352291

IUPACethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H24N2O5/c1-4-27-19(23)15-7-5-6-8-16(15)22-20(24)21-12-11-14-9-10-17(25-2)18(13-14)26-3/h5-10,13H,4,11-12H2,1-3H3,(H2,21,22,24)
InChIKeyDLVZIFFBOKXTCG-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.24
Rot. Bonds8

About ethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]benzoate

ethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]benzoate (PubChem CID 13352291) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is ethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]benzoate
PubChem CID13352291
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Nameethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H24N2O5/c1-4-27-19(23)15-7-5-6-8-16(15)22-20(24)21-12-11-14-9-10-17(25-2)18(13-14)26-3/h5-10,13H,4,11-12H2,1-3H3,(H2,21,22,24)
InChIKeyDLVZIFFBOKXTCG-UHFFFAOYSA-N
XLogP3.24
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(ethoxymethyl)phenyl]urea
CID 60562580
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea
CID 108891607
N'-(2-carbamoylphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 108506282
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970730
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyphenyl)urea
CID 52593578
ethyl 2-(2-pyridin-3-ylethylcarbamoylamino)benzoate
CID 4996691
ethyl 2-[[5-amino-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]amino]benzoate
CID 22541770
methyl 2-[2-(4-methylphenyl)ethylcarbamoylamino]benzoate
CID 108891044
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)urea
CID 7616000
ethyl 4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-3-carboxylate
CID 13206091
1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108867817
ethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzoate
CID 972202

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]benzoate?
The IUPAC name of ethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]benzoate (CID 13352291) is ethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]benzoate.
What is the SMILES notation for ethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]benzoate?
The canonical SMILES for ethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]benzoate is CCOC(=O)c1ccccc1NC(=O)NCCc1ccc(OC)c(OC)c1.
What is the InChIKey of ethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]benzoate?
The InChIKey is DLVZIFFBOKXTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-4-27-19(23)15-7-5-6-8-16(15)22-20(24)21-12-11-14-9-10-17(25-2)18(13-14)26-3/h5-10,13H,4,11-12H2,1-3H3,(H2,21,22,24).
What are the key properties of ethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]benzoate?
ethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]benzoate has a molecular weight of 372.42 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]benzoate is sourced from PubChem (CID 13352291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).