ethyl 2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]acetate

C14H18N2O5 — CID 658555

IUPACethyl 2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H18N2O5/c1-3-21-13(18)9-15-12(17)8-16-14(19)10-4-6-11(20-2)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,15,17)(H,16,19)
InChIKeySZRYBRUXNOYSEI-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.10
Rot. Bonds7

About ethyl 2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]acetate

ethyl 2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]acetate (PubChem CID 658555) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is ethyl 2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]acetate
PubChem CID658555
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Nameethyl 2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H18N2O5/c1-3-21-13(18)9-15-12(17)8-16-14(19)10-4-6-11(20-2)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,15,17)(H,16,19)
InChIKeySZRYBRUXNOYSEI-UHFFFAOYSA-N
XLogP0.10
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]acetate (CID 658555) is ethyl 2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]acetate is CCOC(=O)CNC(=O)CNC(=O)c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]acetate?
The InChIKey is SZRYBRUXNOYSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-3-21-13(18)9-15-12(17)8-16-14(19)10-4-6-11(20-2)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,15,17)(H,16,19).
What are the key properties of ethyl 2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]acetate?
ethyl 2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]acetate has a molecular weight of 294.31 g/mol, XLogP of 0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 658555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).