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

C18H20N2O5 — CID 971559

IUPACethyl 2-[(3,4-dimethoxyphenyl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C18H20N2O5/c1-4-25-17(21)13-7-5-6-8-14(13)20-18(22)19-12-9-10-15(23-2)16(11-12)24-3/h5-11H,4H2,1-3H3,(H2,19,20,22)
InChIKeyIZFXNHIDFYIJRA-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.52
Rot. Bonds6

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

ethyl 2-[(3,4-dimethoxyphenyl)carbamoylamino]benzoate (PubChem CID 971559) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is ethyl 2-[(3,4-dimethoxyphenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(3,4-dimethoxyphenyl)carbamoylamino]benzoate
PubChem CID971559
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Nameethyl 2-[(3,4-dimethoxyphenyl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C18H20N2O5/c1-4-25-17(21)13-7-5-6-8-14(13)20-18(22)19-12-9-10-15(23-2)16(11-12)24-3/h5-11H,4H2,1-3H3,(H2,19,20,22)
InChIKeyIZFXNHIDFYIJRA-UHFFFAOYSA-N
XLogP3.52
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,4-dimethoxyphenyl)carbamoylamino]benzoate?
The IUPAC name of ethyl 2-[(3,4-dimethoxyphenyl)carbamoylamino]benzoate (CID 971559) is ethyl 2-[(3,4-dimethoxyphenyl)carbamoylamino]benzoate.
What is the SMILES notation for ethyl 2-[(3,4-dimethoxyphenyl)carbamoylamino]benzoate?
The canonical SMILES for ethyl 2-[(3,4-dimethoxyphenyl)carbamoylamino]benzoate is CCOC(=O)c1ccccc1NC(=O)Nc1ccc(OC)c(OC)c1.
What is the InChIKey of ethyl 2-[(3,4-dimethoxyphenyl)carbamoylamino]benzoate?
The InChIKey is IZFXNHIDFYIJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-4-25-17(21)13-7-5-6-8-14(13)20-18(22)19-12-9-10-15(23-2)16(11-12)24-3/h5-11H,4H2,1-3H3,(H2,19,20,22).
What are the key properties of ethyl 2-[(3,4-dimethoxyphenyl)carbamoylamino]benzoate?
ethyl 2-[(3,4-dimethoxyphenyl)carbamoylamino]benzoate has a molecular weight of 344.37 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,4-dimethoxyphenyl)carbamoylamino]benzoate is sourced from PubChem (CID 971559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).