2-[2-[2-[[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]-N-[(5S)-5-methyl-6-oxoheptyl]acetamide

C24H44N2O9 — CID 160651898

IUPAC2-[2-[2-[[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]-N-[(5S)-5-methyl-6-oxoheptyl]acetamide
SMILESCOCC(=O)CCCOCCOCC(=O)NCCOCCOCC(=O)NCCCC[C@H](C)C(C)=O
InChIInChI=1S/C24H44N2O9/c1-20(21(2)27)7-4-5-9-25-23(29)18-35-16-14-33-12-10-26-24(30)19-34-15-13-32-11-6-8-22(28)17-31-3/h20H,4-19H2,1-3H3,(H,25,29)(H,26,30)/t20-/m0/s1
InChIKeyLNOGOWJNLLSEKD-FQEVSTJZSA-N
MW504.62 g/mol
LogP0.68
Rot. Bonds25

About 2-[2-[2-[[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]-N-[(5S)-5-methyl-6-oxoheptyl]acetamide

2-[2-[2-[[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]-N-[(5S)-5-methyl-6-oxoheptyl]acetamide (PubChem CID 160651898) has the molecular formula C24H44N2O9 and a molecular weight of 504.62 g/mol. Its IUPAC name is 2-[2-[2-[[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]-N-[(5S)-5-methyl-6-oxoheptyl]acetamide.

Molecular Properties

Compound Name2-[2-[2-[[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]-N-[(5S)-5-methyl-6-oxoheptyl]acetamide
PubChem CID160651898
Molecular FormulaC24H44N2O9
Molecular Weight504.62 g/mol
Exact Mass504.30
IUPAC Name2-[2-[2-[[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]-N-[(5S)-5-methyl-6-oxoheptyl]acetamide
SMILESCOCC(=O)CCCOCCOCC(=O)NCCOCCOCC(=O)NCCCC[C@H](C)C(C)=O
InChIInChI=1S/C24H44N2O9/c1-20(21(2)27)7-4-5-9-25-23(29)18-35-16-14-33-12-10-26-24(30)19-34-15-13-32-11-6-8-22(28)17-31-3/h20H,4-19H2,1-3H3,(H,25,29)(H,26,30)/t20-/m0/s1
InChIKeyLNOGOWJNLLSEKD-FQEVSTJZSA-N
XLogP0.68
TPSA138.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds25
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.62
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5S)-5-methyl-6-oxoheptyl]-2-[2-[2-[[2-[2-(4-oxononoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide
CID 157081898
N-[(5S)-5-methyl-6-oxoheptyl]-2-[2-(4-oxo-5-propoxypentoxy)ethoxy]acetamide
CID 158573658
14-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[2-[2-[5-[2-[2-[[(5S)-5-methyl-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-14-oxotetradecanoic acid
CID 159396731
2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]-N-[(4S)-4-methyl-5-oxohexyl]acetamide
CID 89404001
(2R)-2-[6-[2-[2-[2-[2-[2-[[(5S)-5-methyl-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-3-oxohexyl]-4-oxohenicosanedioic acid;molecular hydrogen
CID 159697900
20-[2-[2-[5-[2-[2-[[(5S)-5-carboxyhexyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-20-oxoicosanoic acid
CID 158478148
20-hydroxy-N-[2-[2-[5-[2-[2-[[10-(methylamino)-4,11-dioxododecyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethyl]icosanamide
CID 158521151
18-[[(1S)-1-carboxy-4-[2-[2-[2-[[(5S)-5-methyl-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 118011466
16-[[(1S)-1-carboxy-4-[2-[2-[2-[2-[2-[2-[[(5S)-5-methyl-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-16-oxohexadecanoic acid
CID 118011431
18-[[(1S)-1-carboxy-7-[2-[2-[2-[2-[(4R)-4-carboxy-7-[[(1S)-1-carboxy-4-[[(5S)-5-methyl-6-oxoheptyl]amino]-4-oxobutyl]amino]-2,7-dioxoheptoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-4-oxoheptyl]amino]-18-oxooctadecanoic acid
CID 148761724
(2S)-5-[2-[2-[5-[2-[2-[[(5S)-5-amino-5-carboxypentyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-2-ethyl-5-oxopentanoic acid
CID 162244742
18-[[(2S)-4-carboxy-1-oxo-1-(propylamino)butan-2-yl]amino]-18-oxooctadecanoic acid;2-[2-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]ethoxy]-N-[(5S)-5-methyl-6-oxoheptyl]acetamide
CID 158898054

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]-N-[(5S)-5-methyl-6-oxoheptyl]acetamide?
The IUPAC name of 2-[2-[2-[[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]-N-[(5S)-5-methyl-6-oxoheptyl]acetamide (CID 160651898) is 2-[2-[2-[[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]-N-[(5S)-5-methyl-6-oxoheptyl]acetamide.
What is the SMILES notation for 2-[2-[2-[[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]-N-[(5S)-5-methyl-6-oxoheptyl]acetamide?
The canonical SMILES for 2-[2-[2-[[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]-N-[(5S)-5-methyl-6-oxoheptyl]acetamide is COCC(=O)CCCOCCOCC(=O)NCCOCCOCC(=O)NCCCC[C@H](C)C(C)=O.
What is the InChIKey of 2-[2-[2-[[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]-N-[(5S)-5-methyl-6-oxoheptyl]acetamide?
The InChIKey is LNOGOWJNLLSEKD-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H44N2O9/c1-20(21(2)27)7-4-5-9-25-23(29)18-35-16-14-33-12-10-26-24(30)19-34-15-13-32-11-6-8-22(28)17-31-3/h20H,4-19H2,1-3H3,(H,25,29)(H,26,30)/t20-/m0/s1.
What are the key properties of 2-[2-[2-[[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]-N-[(5S)-5-methyl-6-oxoheptyl]acetamide?
2-[2-[2-[[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]-N-[(5S)-5-methyl-6-oxoheptyl]acetamide has a molecular weight of 504.62 g/mol, XLogP of 0.68, 25 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]-N-[(5S)-5-methyl-6-oxoheptyl]acetamide is sourced from PubChem (CID 160651898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).