ethyl 4-carbamoylbenzoate

C10H11NO3 — CID 11194872

IUPACethyl 4-carbamoylbenzoate
SMILESCCOC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C10H11NO3/c1-2-14-10(13)8-5-3-7(4-6-8)9(11)12/h3-6H,2H2,1H3,(H2,11,12)
InChIKeyVLKGYFSQZMKYOT-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.96
Rot. Bonds3

About ethyl 4-carbamoylbenzoate

ethyl 4-carbamoylbenzoate (PubChem CID 11194872) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is ethyl 4-carbamoylbenzoate.

Molecular Properties

Compound Nameethyl 4-carbamoylbenzoate
PubChem CID11194872
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Nameethyl 4-carbamoylbenzoate
SMILESCCOC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C10H11NO3/c1-2-14-10(13)8-5-3-7(4-6-8)9(11)12/h3-6H,2H2,1H3,(H2,11,12)
InChIKeyVLKGYFSQZMKYOT-UHFFFAOYSA-N
XLogP0.96
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-carbamoylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-carbamoylbenzoate?
The IUPAC name of ethyl 4-carbamoylbenzoate (CID 11194872) is ethyl 4-carbamoylbenzoate.
What is the SMILES notation for ethyl 4-carbamoylbenzoate?
The canonical SMILES for ethyl 4-carbamoylbenzoate is CCOC(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of ethyl 4-carbamoylbenzoate?
The InChIKey is VLKGYFSQZMKYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-2-14-10(13)8-5-3-7(4-6-8)9(11)12/h3-6H,2H2,1H3,(H2,11,12).
What are the key properties of ethyl 4-carbamoylbenzoate?
ethyl 4-carbamoylbenzoate has a molecular weight of 193.20 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-carbamoylbenzoate is sourced from PubChem (CID 11194872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).