2-ethoxy-N-[2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide

C24H31N3O5 — CID 24982020

IUPAC2-ethoxy-N-[2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)NCC(c1ccc(OC)cc1)N1CCOCC1
InChIInChI=1S/C24H31N3O5/c1-3-32-22-7-5-4-6-20(22)24(29)26-17-23(28)25-16-21(27-12-14-31-15-13-27)18-8-10-19(30-2)11-9-18/h4-11,21H,3,12-17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyJOBCFZVVUWREQK-UHFFFAOYSA-N
MW441.53 g/mol
LogP2.01
Rot. Bonds10

About 2-ethoxy-N-[2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide

2-ethoxy-N-[2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide (PubChem CID 24982020) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide
PubChem CID24982020
Molecular FormulaC24H31N3O5
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC Name2-ethoxy-N-[2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)NCC(c1ccc(OC)cc1)N1CCOCC1
InChIInChI=1S/C24H31N3O5/c1-3-32-22-7-5-4-6-20(22)24(29)26-17-23(28)25-16-21(27-12-14-31-15-13-27)18-8-10-19(30-2)11-9-18/h4-11,21H,3,12-17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyJOBCFZVVUWREQK-UHFFFAOYSA-N
XLogP2.01
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide (CID 24982020) is 2-ethoxy-N-[2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide is CCOc1ccccc1C(=O)NCC(=O)NCC(c1ccc(OC)cc1)N1CCOCC1.
What is the InChIKey of 2-ethoxy-N-[2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is JOBCFZVVUWREQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5/c1-3-32-22-7-5-4-6-20(22)24(29)26-17-23(28)25-16-21(27-12-14-31-15-13-27)18-8-10-19(30-2)11-9-18/h4-11,21H,3,12-17H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 2-ethoxy-N-[2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide?
2-ethoxy-N-[2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 441.53 g/mol, XLogP of 2.01, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 24982020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).