6-[[2-[2-(2-ethoxyethoxy)ethoxy]acetyl]amino]-N-[6-[[2-[2-(2-ethoxyethoxy)ethoxy]acetyl]amino]hexan-2-yl]-2-[3-[2-(2-ethoxyethoxy)ethoxy]prop-1-en-2-ylamino]hexanamide

C37H72N4O12 — CID 177221856

IUPAC6-[[2-[2-(2-ethoxyethoxy)ethoxy]acetyl]amino]-N-[6-[[2-[2-(2-ethoxyethoxy)ethoxy]acetyl]amino]hexan-2-yl]-2-[3-[2-(2-ethoxyethoxy)ethoxy]prop-1-en-2-ylamino]hexanamide
SMILESC=C(COCCOCCOCC)NC(CCCCNC(=O)COCCOCCOCC)C(=O)NC(C)CCCCNC(=O)COCCOCCOCC
InChIInChI=1S/C37H72N4O12/c1-6-45-17-20-48-23-26-51-29-33(5)40-34(14-10-12-16-39-36(43)31-53-28-25-50-22-19-47-8-3)37(44)41-32(4)13-9-11-15-38-35(42)30-52-27-24-49-21-18-46-7-2/h32,34,40H,5-31H2,1-4H3,(H,38,42)(H,39,43)(H,41,44)
InChIKeyBJEHRMOABFVVHN-UHFFFAOYSA-N
MW765.00 g/mol
LogP1.75
Rot. Bonds41

About 6-[[2-[2-(2-ethoxyethoxy)ethoxy]acetyl]amino]-N-[6-[[2-[2-(2-ethoxyethoxy)ethoxy]acetyl]amino]hexan-2-yl]-2-[3-[2-(2-ethoxyethoxy)ethoxy]prop-1-en-2-ylamino]hexanamide

6-[[2-[2-(2-ethoxyethoxy)ethoxy]acetyl]amino]-N-[6-[[2-[2-(2-ethoxyethoxy)ethoxy]acetyl]amino]hexan-2-yl]-2-[3-[2-(2-ethoxyethoxy)ethoxy]prop-1-en-2-ylamino]hexanamide (PubChem CID 177221856) has the molecular formula C37H72N4O12 and a molecular weight of 765.00 g/mol. Its IUPAC name is 6-[[2-[2-(2-ethoxyethoxy)ethoxy]acetyl]amino]-N-[6-[[2-[2-(2-ethoxyethoxy)ethoxy]acetyl]amino]hexan-2-yl]-2-[3-[2-(2-ethoxyethoxy)ethoxy]prop-1-en-2-ylamino]hexanamide.

Molecular Properties

Compound Name6-[[2-[2-(2-ethoxyethoxy)ethoxy]acetyl]amino]-N-[6-[[2-[2-(2-ethoxyethoxy)ethoxy]acetyl]amino]hexan-2-yl]-2-[3-[2-(2-ethoxyethoxy)ethoxy]prop-1-en-2-ylamino]hexanamide
PubChem CID177221856
Molecular FormulaC37H72N4O12
Molecular Weight765.00 g/mol
Exact Mass764.51
IUPAC Name6-[[2-[2-(2-ethoxyethoxy)ethoxy]acetyl]amino]-N-[6-[[2-[2-(2-ethoxyethoxy)ethoxy]acetyl]amino]hexan-2-yl]-2-[3-[2-(2-ethoxyethoxy)ethoxy]prop-1-en-2-ylamino]hexanamide
SMILESC=C(COCCOCCOCC)NC(CCCCNC(=O)COCCOCCOCC)C(=O)NC(C)CCCCNC(=O)COCCOCCOCC
InChIInChI=1S/C37H72N4O12/c1-6-45-17-20-48-23-26-51-29-33(5)40-34(14-10-12-16-39-36(43)31-53-28-25-50-22-19-47-8-3)37(44)41-32(4)13-9-11-15-38-35(42)30-52-27-24-49-21-18-46-7-2/h32,34,40H,5-31H2,1-4H3,(H,38,42)(H,39,43)(H,41,44)
InChIKeyBJEHRMOABFVVHN-UHFFFAOYSA-N
XLogP1.75
TPSA182.40 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds41
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.00
LogP ≤ 51.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 6-[[2-[2-(2-ethoxyethoxy)ethoxy]acetyl]amino]-N-[6-[[2-[2-(2-ethoxyethoxy)ethoxy]acetyl]amino]hexan-2-yl]-2-[3-[2-(2-ethoxyethoxy)ethoxy]prop-1-en-2-ylamino]hexanamide with MolForge

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Related Compounds

2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]-N-[(4S)-4-methyl-5-oxohexyl]acetamide
CID 89404001
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
(2S)-2-[[(2S)-6-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]propanoic acid
CID 122701703
11-[[2-[2-[2-[[(2S)-3-carboxy-2-[(2-ethoxyacetyl)amino]propanoyl]amino]ethoxy]ethoxy]acetyl]amino]undecanoic acid
CID 171747730
2-(methylamino)-6-[[2-[2-[2-[[2-[2-[2-[[2-[2-[2-[[2-[2-[2-[[2-[2-[2-[(2-propoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]hexanoic acid
CID 175629814
2-ethoxy-N-(5-methylhexyl)acetamide
CID 21019006
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
2-ethoxyethyl N-[6-(2-ethoxyethoxycarbonylamino)hexan-2-yl]carbamate
CID 153316173
N-[(5S)-7-amino-5-ethyl-6-oxoheptyl]-2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide
CID 160915375
(2S)-6-[(2-bromoacetyl)amino]-2-[[2-[2-[2-[(2-propoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]hexanoic acid
CID 90261192
(2S)-5-[2-[2-[2-[2-[2-[2-[5-(methylamino)hexylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-5-oxo-2-(17-sulfanylheptadec-1-en-2-ylamino)pentanoic acid
CID 144843685
5-[2-[2-[2-[2-[2-[2-[[1-carboxy-5-(propanoylamino)pentyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-methyl-5-oxopentanoic acid
CID 88913068

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[2-(2-ethoxyethoxy)ethoxy]acetyl]amino]-N-[6-[[2-[2-(2-ethoxyethoxy)ethoxy]acetyl]amino]hexan-2-yl]-2-[3-[2-(2-ethoxyethoxy)ethoxy]prop-1-en-2-ylamino]hexanamide?
The IUPAC name of 6-[[2-[2-(2-ethoxyethoxy)ethoxy]acetyl]amino]-N-[6-[[2-[2-(2-ethoxyethoxy)ethoxy]acetyl]amino]hexan-2-yl]-2-[3-[2-(2-ethoxyethoxy)ethoxy]prop-1-en-2-ylamino]hexanamide (CID 177221856) is 6-[[2-[2-(2-ethoxyethoxy)ethoxy]acetyl]amino]-N-[6-[[2-[2-(2-ethoxyethoxy)ethoxy]acetyl]amino]hexan-2-yl]-2-[3-[2-(2-ethoxyethoxy)ethoxy]prop-1-en-2-ylamino]hexanamide.
What is the SMILES notation for 6-[[2-[2-(2-ethoxyethoxy)ethoxy]acetyl]amino]-N-[6-[[2-[2-(2-ethoxyethoxy)ethoxy]acetyl]amino]hexan-2-yl]-2-[3-[2-(2-ethoxyethoxy)ethoxy]prop-1-en-2-ylamino]hexanamide?
The canonical SMILES for 6-[[2-[2-(2-ethoxyethoxy)ethoxy]acetyl]amino]-N-[6-[[2-[2-(2-ethoxyethoxy)ethoxy]acetyl]amino]hexan-2-yl]-2-[3-[2-(2-ethoxyethoxy)ethoxy]prop-1-en-2-ylamino]hexanamide is C=C(COCCOCCOCC)NC(CCCCNC(=O)COCCOCCOCC)C(=O)NC(C)CCCCNC(=O)COCCOCCOCC.
What is the InChIKey of 6-[[2-[2-(2-ethoxyethoxy)ethoxy]acetyl]amino]-N-[6-[[2-[2-(2-ethoxyethoxy)ethoxy]acetyl]amino]hexan-2-yl]-2-[3-[2-(2-ethoxyethoxy)ethoxy]prop-1-en-2-ylamino]hexanamide?
The InChIKey is BJEHRMOABFVVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H72N4O12/c1-6-45-17-20-48-23-26-51-29-33(5)40-34(14-10-12-16-39-36(43)31-53-28-25-50-22-19-47-8-3)37(44)41-32(4)13-9-11-15-38-35(42)30-52-27-24-49-21-18-46-7-2/h32,34,40H,5-31H2,1-4H3,(H,38,42)(H,39,43)(H,41,44).
What are the key properties of 6-[[2-[2-(2-ethoxyethoxy)ethoxy]acetyl]amino]-N-[6-[[2-[2-(2-ethoxyethoxy)ethoxy]acetyl]amino]hexan-2-yl]-2-[3-[2-(2-ethoxyethoxy)ethoxy]prop-1-en-2-ylamino]hexanamide?
6-[[2-[2-(2-ethoxyethoxy)ethoxy]acetyl]amino]-N-[6-[[2-[2-(2-ethoxyethoxy)ethoxy]acetyl]amino]hexan-2-yl]-2-[3-[2-(2-ethoxyethoxy)ethoxy]prop-1-en-2-ylamino]hexanamide has a molecular weight of 765.00 g/mol, XLogP of 1.75, 41 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[2-(2-ethoxyethoxy)ethoxy]acetyl]amino]-N-[6-[[2-[2-(2-ethoxyethoxy)ethoxy]acetyl]amino]hexan-2-yl]-2-[3-[2-(2-ethoxyethoxy)ethoxy]prop-1-en-2-ylamino]hexanamide is sourced from PubChem (CID 177221856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).