ethyl 4-(4-carbamoylphenyl)butanoate

C13H17NO3 — CID 69277507

IUPACethyl 4-(4-carbamoylphenyl)butanoate
SMILESCCOC(=O)CCCc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H17NO3/c1-2-17-12(15)5-3-4-10-6-8-11(9-7-10)13(14)16/h6-9H,2-5H2,1H3,(H2,14,16)
InChIKeyISYZFDUVOPAMPF-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.67
Rot. Bonds6

About ethyl 4-(4-carbamoylphenyl)butanoate

ethyl 4-(4-carbamoylphenyl)butanoate (PubChem CID 69277507) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is ethyl 4-(4-carbamoylphenyl)butanoate.

Molecular Properties

Compound Nameethyl 4-(4-carbamoylphenyl)butanoate
PubChem CID69277507
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Nameethyl 4-(4-carbamoylphenyl)butanoate
SMILESCCOC(=O)CCCc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H17NO3/c1-2-17-12(15)5-3-4-10-6-8-11(9-7-10)13(14)16/h6-9H,2-5H2,1H3,(H2,14,16)
InChIKeyISYZFDUVOPAMPF-UHFFFAOYSA-N
XLogP1.67
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-carbamoylphenyl)butanoate?
The IUPAC name of ethyl 4-(4-carbamoylphenyl)butanoate (CID 69277507) is ethyl 4-(4-carbamoylphenyl)butanoate.
What is the SMILES notation for ethyl 4-(4-carbamoylphenyl)butanoate?
The canonical SMILES for ethyl 4-(4-carbamoylphenyl)butanoate is CCOC(=O)CCCc1ccc(C(N)=O)cc1.
What is the InChIKey of ethyl 4-(4-carbamoylphenyl)butanoate?
The InChIKey is ISYZFDUVOPAMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-2-17-12(15)5-3-4-10-6-8-11(9-7-10)13(14)16/h6-9H,2-5H2,1H3,(H2,14,16).
What are the key properties of ethyl 4-(4-carbamoylphenyl)butanoate?
ethyl 4-(4-carbamoylphenyl)butanoate has a molecular weight of 235.28 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-carbamoylphenyl)butanoate is sourced from PubChem (CID 69277507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).