ethyl 2-[(4-acetamidobenzoyl)amino]acetate

C13H16N2O4 — CID 2841838

IUPACethyl 2-[(4-acetamidobenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C13H16N2O4/c1-3-19-12(17)8-14-13(18)10-4-6-11(7-5-10)15-9(2)16/h4-7H,3,8H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyPYYUARRKZRMQDF-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.94
Rot. Bonds5

About ethyl 2-[(4-acetamidobenzoyl)amino]acetate

ethyl 2-[(4-acetamidobenzoyl)amino]acetate (PubChem CID 2841838) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is ethyl 2-[(4-acetamidobenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-acetamidobenzoyl)amino]acetate
PubChem CID2841838
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Nameethyl 2-[(4-acetamidobenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C13H16N2O4/c1-3-19-12(17)8-14-13(18)10-4-6-11(7-5-10)15-9(2)16/h4-7H,3,8H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyPYYUARRKZRMQDF-UHFFFAOYSA-N
XLogP0.94
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-acetamidobenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[(4-acetamidobenzoyl)amino]acetate (CID 2841838) is ethyl 2-[(4-acetamidobenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4-acetamidobenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[(4-acetamidobenzoyl)amino]acetate is CCOC(=O)CNC(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of ethyl 2-[(4-acetamidobenzoyl)amino]acetate?
The InChIKey is PYYUARRKZRMQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-3-19-12(17)8-14-13(18)10-4-6-11(7-5-10)15-9(2)16/h4-7H,3,8H2,1-2H3,(H,14,18)(H,15,16).
What are the key properties of ethyl 2-[(4-acetamidobenzoyl)amino]acetate?
ethyl 2-[(4-acetamidobenzoyl)amino]acetate has a molecular weight of 264.28 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-acetamidobenzoyl)amino]acetate is sourced from PubChem (CID 2841838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).