ethyl 2-[[2-[16-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetyl]amino]acetate

C24H44N4O10 — CID 3849873

IUPACethyl 2-[[2-[16-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CN1CCOCCOCCN(CC(=O)NCC(=O)OCC)CCOCCOCC1
InChIInChI=1S/C24H44N4O10/c1-3-37-23(31)17-25-21(29)19-27-5-9-33-13-15-35-11-7-28(8-12-36-16-14-34-10-6-27)20-22(30)26-18-24(32)38-4-2/h3-20H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyASFFMOXNKPVOBX-UHFFFAOYSA-N
MW548.63 g/mol
LogP-1.97
Rot. Bonds10

About ethyl 2-[[2-[16-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetyl]amino]acetate

ethyl 2-[[2-[16-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetyl]amino]acetate (PubChem CID 3849873) has the molecular formula C24H44N4O10 and a molecular weight of 548.63 g/mol. Its IUPAC name is ethyl 2-[[2-[16-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[16-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetyl]amino]acetate
PubChem CID3849873
Molecular FormulaC24H44N4O10
Molecular Weight548.63 g/mol
Exact Mass548.31
IUPAC Nameethyl 2-[[2-[16-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CN1CCOCCOCCN(CC(=O)NCC(=O)OCC)CCOCCOCC1
InChIInChI=1S/C24H44N4O10/c1-3-37-23(31)17-25-21(29)19-27-5-9-33-13-15-35-11-7-28(8-12-36-16-14-34-10-6-27)20-22(30)26-18-24(32)38-4-2/h3-20H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyASFFMOXNKPVOBX-UHFFFAOYSA-N
XLogP-1.97
TPSA154.20 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.63
LogP ≤ 5-1.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze ethyl 2-[[2-[16-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetyl]amino]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[16-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[16-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetyl]amino]acetate (CID 3849873) is ethyl 2-[[2-[16-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[16-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[16-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetyl]amino]acetate is CCOC(=O)CNC(=O)CN1CCOCCOCCN(CC(=O)NCC(=O)OCC)CCOCCOCC1.
What is the InChIKey of ethyl 2-[[2-[16-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetyl]amino]acetate?
The InChIKey is ASFFMOXNKPVOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N4O10/c1-3-37-23(31)17-25-21(29)19-27-5-9-33-13-15-35-11-7-28(8-12-36-16-14-34-10-6-27)20-22(30)26-18-24(32)38-4-2/h3-20H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of ethyl 2-[[2-[16-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetyl]amino]acetate?
ethyl 2-[[2-[16-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetyl]amino]acetate has a molecular weight of 548.63 g/mol, XLogP of -1.97, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[16-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetyl]amino]acetate is sourced from PubChem (CID 3849873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).