2-(2-methoxyethoxy)ethyl 2-[6-[[1-[2-(2-methoxyethoxy)ethoxy]-1-oxopropan-2-yl]carbamoylamino]hexylcarbamoylamino]propanoate

C24H46N4O10 — CID 59345980

IUPAC2-(2-methoxyethoxy)ethyl 2-[6-[[1-[2-(2-methoxyethoxy)ethoxy]-1-oxopropan-2-yl]carbamoylamino]hexylcarbamoylamino]propanoate
SMILESCOCCOCCOC(=O)C(C)NC(=O)NCCCCCCNC(=O)NC(C)C(=O)OCCOCCOC
InChIInChI=1S/C24H46N4O10/c1-19(21(29)37-17-15-35-13-11-33-3)27-23(31)25-9-7-5-6-8-10-26-24(32)28-20(2)22(30)38-18-16-36-14-12-34-4/h19-20H,5-18H2,1-4H3,(H2,25,27,31)(H2,26,28,32)
InChIKeyCZDVGZDCDBVPFA-UHFFFAOYSA-N
MW550.65 g/mol
LogP0.33
Rot. Bonds23

About 2-(2-methoxyethoxy)ethyl 2-[6-[[1-[2-(2-methoxyethoxy)ethoxy]-1-oxopropan-2-yl]carbamoylamino]hexylcarbamoylamino]propanoate

2-(2-methoxyethoxy)ethyl 2-[6-[[1-[2-(2-methoxyethoxy)ethoxy]-1-oxopropan-2-yl]carbamoylamino]hexylcarbamoylamino]propanoate (PubChem CID 59345980) has the molecular formula C24H46N4O10 and a molecular weight of 550.65 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl 2-[6-[[1-[2-(2-methoxyethoxy)ethoxy]-1-oxopropan-2-yl]carbamoylamino]hexylcarbamoylamino]propanoate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl 2-[6-[[1-[2-(2-methoxyethoxy)ethoxy]-1-oxopropan-2-yl]carbamoylamino]hexylcarbamoylamino]propanoate
PubChem CID59345980
Molecular FormulaC24H46N4O10
Molecular Weight550.65 g/mol
Exact Mass550.32
IUPAC Name2-(2-methoxyethoxy)ethyl 2-[6-[[1-[2-(2-methoxyethoxy)ethoxy]-1-oxopropan-2-yl]carbamoylamino]hexylcarbamoylamino]propanoate
SMILESCOCCOCCOC(=O)C(C)NC(=O)NCCCCCCNC(=O)NC(C)C(=O)OCCOCCOC
InChIInChI=1S/C24H46N4O10/c1-19(21(29)37-17-15-35-13-11-33-3)27-23(31)25-9-7-5-6-8-10-26-24(32)28-20(2)22(30)38-18-16-36-14-12-34-4/h19-20H,5-18H2,1-4H3,(H2,25,27,31)(H2,26,28,32)
InChIKeyCZDVGZDCDBVPFA-UHFFFAOYSA-N
XLogP0.33
TPSA171.78 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.65
LogP ≤ 50.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-ylurea
CID 176960300
1-dodecyl-3-[1-(2-methoxyethoxy)propan-2-yl]urea
CID 130424651
2-(3-methoxypropoxy)ethyl 2-(methylamino)propanoate
CID 103178278
(2R)-2-[4-(2-methoxyethoxy)butylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 104860994
2-(2-methoxyethoxymethylcarbamoylamino)propanoic acid
CID 108894318
methyl 2-[3-(2-methoxyethoxy)propylamino]propanoate
CID 66173501
N-[(5S)-5-aminohexyl]-2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 172551422
(2R)-2-(4-methoxybutylcarbamoylamino)-3-methylbutanoic acid
CID 79009826
(2R)-2-(3-propoxypropylcarbamoylamino)propanoic acid
CID 82943097
5-(5-methoxypentylcarbamoylamino)hexanoic acid
CID 114131677
(2R)-2-[3-(2-methoxyethoxy)propylamino]propanoic acid
CID 103410935
(2R)-2-(5-methoxypentylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 114131664

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl 2-[6-[[1-[2-(2-methoxyethoxy)ethoxy]-1-oxopropan-2-yl]carbamoylamino]hexylcarbamoylamino]propanoate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl 2-[6-[[1-[2-(2-methoxyethoxy)ethoxy]-1-oxopropan-2-yl]carbamoylamino]hexylcarbamoylamino]propanoate (CID 59345980) is 2-(2-methoxyethoxy)ethyl 2-[6-[[1-[2-(2-methoxyethoxy)ethoxy]-1-oxopropan-2-yl]carbamoylamino]hexylcarbamoylamino]propanoate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl 2-[6-[[1-[2-(2-methoxyethoxy)ethoxy]-1-oxopropan-2-yl]carbamoylamino]hexylcarbamoylamino]propanoate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl 2-[6-[[1-[2-(2-methoxyethoxy)ethoxy]-1-oxopropan-2-yl]carbamoylamino]hexylcarbamoylamino]propanoate is COCCOCCOC(=O)C(C)NC(=O)NCCCCCCNC(=O)NC(C)C(=O)OCCOCCOC.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl 2-[6-[[1-[2-(2-methoxyethoxy)ethoxy]-1-oxopropan-2-yl]carbamoylamino]hexylcarbamoylamino]propanoate?
The InChIKey is CZDVGZDCDBVPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N4O10/c1-19(21(29)37-17-15-35-13-11-33-3)27-23(31)25-9-7-5-6-8-10-26-24(32)28-20(2)22(30)38-18-16-36-14-12-34-4/h19-20H,5-18H2,1-4H3,(H2,25,27,31)(H2,26,28,32).
What are the key properties of 2-(2-methoxyethoxy)ethyl 2-[6-[[1-[2-(2-methoxyethoxy)ethoxy]-1-oxopropan-2-yl]carbamoylamino]hexylcarbamoylamino]propanoate?
2-(2-methoxyethoxy)ethyl 2-[6-[[1-[2-(2-methoxyethoxy)ethoxy]-1-oxopropan-2-yl]carbamoylamino]hexylcarbamoylamino]propanoate has a molecular weight of 550.65 g/mol, XLogP of 0.33, 23 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl 2-[6-[[1-[2-(2-methoxyethoxy)ethoxy]-1-oxopropan-2-yl]carbamoylamino]hexylcarbamoylamino]propanoate is sourced from PubChem (CID 59345980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).