ethyl 3-(4-carbamoylphenyl)prop-2-enoate

C12H13NO3 — CID 112725184

IUPACethyl 3-(4-carbamoylphenyl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C12H13NO3/c1-2-16-11(14)8-5-9-3-6-10(7-4-9)12(13)15/h3-8H,2H2,1H3,(H2,13,15)
InChIKeyYAMRYFVZJNKASH-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.36
Rot. Bonds4

About ethyl 3-(4-carbamoylphenyl)prop-2-enoate

ethyl 3-(4-carbamoylphenyl)prop-2-enoate (PubChem CID 112725184) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is ethyl 3-(4-carbamoylphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(4-carbamoylphenyl)prop-2-enoate
PubChem CID112725184
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Nameethyl 3-(4-carbamoylphenyl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C12H13NO3/c1-2-16-11(14)8-5-9-3-6-10(7-4-9)12(13)15/h3-8H,2H2,1H3,(H2,13,15)
InChIKeyYAMRYFVZJNKASH-UHFFFAOYSA-N
XLogP1.36
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl 3-(4-carbamoylphenyl)prop-2-enoate with MolForge

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

Launch Full Analysis

Related Compounds

4-Methylbenzamide
CID 69274
Terephthalamide
CID 76381
N-hydroxy-4-methylbenzamide
CID 426839
4-Ethenylbenzamide
CID 285483
Ethyl 4-(aminomethyl)benzoate
CID 436161
4-Ethylbenzamide
CID 7020622
4-Acetylbenzamide
CID 11159497
4-Formylbenzamide
CID 11744790
Benzamide, N-(acetyloxy)-N-ethoxy-
CID 154235
3-(3-Carbamoyl-phenyl)-2-cyano-acrylic acid ethyl ester
CID 10776667
N-Benzoyl-O-allylhydroxylamine
CID 12236766
4-Aminomethyl-benzoic acid ethyl ester hydrochloride
CID 16236386

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-carbamoylphenyl)prop-2-enoate?
The IUPAC name of ethyl 3-(4-carbamoylphenyl)prop-2-enoate (CID 112725184) is ethyl 3-(4-carbamoylphenyl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(4-carbamoylphenyl)prop-2-enoate?
The canonical SMILES for ethyl 3-(4-carbamoylphenyl)prop-2-enoate is CCOC(=O)C=Cc1ccc(C(N)=O)cc1.
What is the InChIKey of ethyl 3-(4-carbamoylphenyl)prop-2-enoate?
The InChIKey is YAMRYFVZJNKASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-2-16-11(14)8-5-9-3-6-10(7-4-9)12(13)15/h3-8H,2H2,1H3,(H2,13,15).
What are the key properties of ethyl 3-(4-carbamoylphenyl)prop-2-enoate?
ethyl 3-(4-carbamoylphenyl)prop-2-enoate has a molecular weight of 219.24 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-carbamoylphenyl)prop-2-enoate is sourced from PubChem (CID 112725184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).