ethyl 4-[2-[2-(2-methoxyphenyl)ethylcarbamoylamino]acetyl]piperazine-1-carboxylate

C19H28N4O5 — CID 110625494

IUPACethyl 4-[2-[2-(2-methoxyphenyl)ethylcarbamoylamino]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNC(=O)NCCc2ccccc2OC)CC1
InChIInChI=1S/C19H28N4O5/c1-3-28-19(26)23-12-10-22(11-13-23)17(24)14-21-18(25)20-9-8-15-6-4-5-7-16(15)27-2/h4-7H,3,8-14H2,1-2H3,(H2,20,21,25)
InChIKeyNYLICQRXAYRNPI-UHFFFAOYSA-N
MW392.46 g/mol
LogP0.84
Rot. Bonds7

About ethyl 4-[2-[2-(2-methoxyphenyl)ethylcarbamoylamino]acetyl]piperazine-1-carboxylate

ethyl 4-[2-[2-(2-methoxyphenyl)ethylcarbamoylamino]acetyl]piperazine-1-carboxylate (PubChem CID 110625494) has the molecular formula C19H28N4O5 and a molecular weight of 392.46 g/mol. Its IUPAC name is ethyl 4-[2-[2-(2-methoxyphenyl)ethylcarbamoylamino]acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[2-(2-methoxyphenyl)ethylcarbamoylamino]acetyl]piperazine-1-carboxylate
PubChem CID110625494
Molecular FormulaC19H28N4O5
Molecular Weight392.46 g/mol
Exact Mass392.21
IUPAC Nameethyl 4-[2-[2-(2-methoxyphenyl)ethylcarbamoylamino]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNC(=O)NCCc2ccccc2OC)CC1
InChIInChI=1S/C19H28N4O5/c1-3-28-19(26)23-12-10-22(11-13-23)17(24)14-21-18(25)20-9-8-15-6-4-5-7-16(15)27-2/h4-7H,3,8-14H2,1-2H3,(H2,20,21,25)
InChIKeyNYLICQRXAYRNPI-UHFFFAOYSA-N
XLogP0.84
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxylate
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2-(ethylamino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[2-(2-methoxyphenyl)ethylcarbamoylamino]acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[2-(2-methoxyphenyl)ethylcarbamoylamino]acetyl]piperazine-1-carboxylate (CID 110625494) is ethyl 4-[2-[2-(2-methoxyphenyl)ethylcarbamoylamino]acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[2-(2-methoxyphenyl)ethylcarbamoylamino]acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[2-(2-methoxyphenyl)ethylcarbamoylamino]acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CNC(=O)NCCc2ccccc2OC)CC1.
What is the InChIKey of ethyl 4-[2-[2-(2-methoxyphenyl)ethylcarbamoylamino]acetyl]piperazine-1-carboxylate?
The InChIKey is NYLICQRXAYRNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O5/c1-3-28-19(26)23-12-10-22(11-13-23)17(24)14-21-18(25)20-9-8-15-6-4-5-7-16(15)27-2/h4-7H,3,8-14H2,1-2H3,(H2,20,21,25).
What are the key properties of ethyl 4-[2-[2-(2-methoxyphenyl)ethylcarbamoylamino]acetyl]piperazine-1-carboxylate?
ethyl 4-[2-[2-(2-methoxyphenyl)ethylcarbamoylamino]acetyl]piperazine-1-carboxylate has a molecular weight of 392.46 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[2-(2-methoxyphenyl)ethylcarbamoylamino]acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 110625494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).