ethyl 4-[2-[[2-(2-methylphenoxy)acetyl]amino]benzoyl]piperazine-1-carboxylate

C23H27N3O5 — CID 2920163

IUPACethyl 4-[2-[[2-(2-methylphenoxy)acetyl]amino]benzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)COc2ccccc2C)CC1
InChIInChI=1S/C23H27N3O5/c1-3-30-23(29)26-14-12-25(13-15-26)22(28)18-9-5-6-10-19(18)24-21(27)16-31-20-11-7-4-8-17(20)2/h4-11H,3,12-16H2,1-2H3,(H,24,27)
InChIKeyMNYIBWQTKOAZSX-UHFFFAOYSA-N
MW425.49 g/mol
LogP2.93
Rot. Bonds6

About ethyl 4-[2-[[2-(2-methylphenoxy)acetyl]amino]benzoyl]piperazine-1-carboxylate

ethyl 4-[2-[[2-(2-methylphenoxy)acetyl]amino]benzoyl]piperazine-1-carboxylate (PubChem CID 2920163) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is ethyl 4-[2-[[2-(2-methylphenoxy)acetyl]amino]benzoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[[2-(2-methylphenoxy)acetyl]amino]benzoyl]piperazine-1-carboxylate
PubChem CID2920163
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC Nameethyl 4-[2-[[2-(2-methylphenoxy)acetyl]amino]benzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)COc2ccccc2C)CC1
InChIInChI=1S/C23H27N3O5/c1-3-30-23(29)26-14-12-25(13-15-26)22(28)18-9-5-6-10-19(18)24-21(27)16-31-20-11-7-4-8-17(20)2/h4-11H,3,12-16H2,1-2H3,(H,24,27)
InChIKeyMNYIBWQTKOAZSX-UHFFFAOYSA-N
XLogP2.93
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[[2-(2-methylphenoxy)acetyl]amino]benzoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[[2-(2-methylphenoxy)acetyl]amino]benzoyl]piperazine-1-carboxylate (CID 2920163) is ethyl 4-[2-[[2-(2-methylphenoxy)acetyl]amino]benzoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[[2-(2-methylphenoxy)acetyl]amino]benzoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[[2-(2-methylphenoxy)acetyl]amino]benzoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)COc2ccccc2C)CC1.
What is the InChIKey of ethyl 4-[2-[[2-(2-methylphenoxy)acetyl]amino]benzoyl]piperazine-1-carboxylate?
The InChIKey is MNYIBWQTKOAZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-3-30-23(29)26-14-12-25(13-15-26)22(28)18-9-5-6-10-19(18)24-21(27)16-31-20-11-7-4-8-17(20)2/h4-11H,3,12-16H2,1-2H3,(H,24,27).
What are the key properties of ethyl 4-[2-[[2-(2-methylphenoxy)acetyl]amino]benzoyl]piperazine-1-carboxylate?
ethyl 4-[2-[[2-(2-methylphenoxy)acetyl]amino]benzoyl]piperazine-1-carboxylate has a molecular weight of 425.49 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[[2-(2-methylphenoxy)acetyl]amino]benzoyl]piperazine-1-carboxylate is sourced from PubChem (CID 2920163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).