N-[2-[3-[2-[3-[[2-[[3-[2-[3-[2-(hexadecanoylamino)ethoxy]propanoylamino]ethoxy]propanoylamino]methyl]-3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropoxy]ethylamino]-3-oxopropoxy]ethyl]hexadecanamide

C60H115N7O11 — CID 170122633

IUPACN-[2-[3-[2-[3-[[2-[[3-[2-[3-[2-(hexadecanoylamino)ethoxy]propanoylamino]ethoxy]propanoylamino]methyl]-3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropoxy]ethylamino]-3-oxopropoxy]ethyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCCOCCC(=O)NCCOCCC(=O)NCC(CNC(=O)CCOCCNC(=O)CCOCCNC(=O)CCCCCCCCCCCCCCC)C(=O)NCC(C)C
InChIInChI=1S/C60H115N7O11/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-54(68)61-37-45-75-41-33-56(70)63-39-47-77-43-35-58(72)65-50-53(60(74)67-49-52(3)4)51-66-59(73)36-44-78-48-40-64-57(71)34-42-76-46-38-62-55(69)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h52-53H,5-51H2,1-4H3,(H,61,68)(H,62,69)(H,63,70)(H,64,71)(H,65,72)(H,66,73)(H,67,74)
InChIKeyQCEIQIMTNJEUIK-UHFFFAOYSA-N
MW1110.62 g/mol
LogP8.66
Rot. Bonds59

About N-[2-[3-[2-[3-[[2-[[3-[2-[3-[2-(hexadecanoylamino)ethoxy]propanoylamino]ethoxy]propanoylamino]methyl]-3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropoxy]ethylamino]-3-oxopropoxy]ethyl]hexadecanamide

N-[2-[3-[2-[3-[[2-[[3-[2-[3-[2-(hexadecanoylamino)ethoxy]propanoylamino]ethoxy]propanoylamino]methyl]-3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropoxy]ethylamino]-3-oxopropoxy]ethyl]hexadecanamide (PubChem CID 170122633) has the molecular formula C60H115N7O11 and a molecular weight of 1110.62 g/mol. Its IUPAC name is N-[2-[3-[2-[3-[[2-[[3-[2-[3-[2-(hexadecanoylamino)ethoxy]propanoylamino]ethoxy]propanoylamino]methyl]-3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropoxy]ethylamino]-3-oxopropoxy]ethyl]hexadecanamide.

Molecular Properties

Compound NameN-[2-[3-[2-[3-[[2-[[3-[2-[3-[2-(hexadecanoylamino)ethoxy]propanoylamino]ethoxy]propanoylamino]methyl]-3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropoxy]ethylamino]-3-oxopropoxy]ethyl]hexadecanamide
PubChem CID170122633
Molecular FormulaC60H115N7O11
Molecular Weight1110.62 g/mol
Exact Mass1109.87
IUPAC NameN-[2-[3-[2-[3-[[2-[[3-[2-[3-[2-(hexadecanoylamino)ethoxy]propanoylamino]ethoxy]propanoylamino]methyl]-3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropoxy]ethylamino]-3-oxopropoxy]ethyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCCOCCC(=O)NCCOCCC(=O)NCC(CNC(=O)CCOCCNC(=O)CCOCCNC(=O)CCCCCCCCCCCCCCC)C(=O)NCC(C)C
InChIInChI=1S/C60H115N7O11/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-54(68)61-37-45-75-41-33-56(70)63-39-47-77-43-35-58(72)65-50-53(60(74)67-49-52(3)4)51-66-59(73)36-44-78-48-40-64-57(71)34-42-76-46-38-62-55(69)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h52-53H,5-51H2,1-4H3,(H,61,68)(H,62,69)(H,63,70)(H,64,71)(H,65,72)(H,66,73)(H,67,74)
InChIKeyQCEIQIMTNJEUIK-UHFFFAOYSA-N
XLogP8.66
TPSA240.62 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds59
Heavy Atoms78
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001110.62
LogP ≤ 58.66
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N-[2-[3-[2-[3-[[2-[[3-[2-[3-[2-(hexadecanoylamino)ethoxy]propanoylamino]ethoxy]propanoylamino]methyl]-3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropoxy]ethylamino]-3-oxopropoxy]ethyl]hexadecanamide with MolForge

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Related Compounds

N-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethyl]tetradecanamide
CID 156529774
N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide
CID 171841567
N-[2-(2-aminooxyethoxy)ethyl]octadecanamide
CID 87339139
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(decanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]acetic acid
CID 175751113
N-(4-methylpentyl)-3-[3-(2-methylpropylamino)-3-oxopropoxy]propanamide
CID 177260511
N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 170040570
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]hexadecanamide
CID 102228656
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide
CID 87320335
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide
CID 134259653
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide
CID 89417865
N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]hexadecanamide
CID 145049534
2-[2-(hexadecanoylamino)ethoxy]acetic acid
CID 3017701

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[2-[3-[[2-[[3-[2-[3-[2-(hexadecanoylamino)ethoxy]propanoylamino]ethoxy]propanoylamino]methyl]-3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropoxy]ethylamino]-3-oxopropoxy]ethyl]hexadecanamide?
The IUPAC name of N-[2-[3-[2-[3-[[2-[[3-[2-[3-[2-(hexadecanoylamino)ethoxy]propanoylamino]ethoxy]propanoylamino]methyl]-3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropoxy]ethylamino]-3-oxopropoxy]ethyl]hexadecanamide (CID 170122633) is N-[2-[3-[2-[3-[[2-[[3-[2-[3-[2-(hexadecanoylamino)ethoxy]propanoylamino]ethoxy]propanoylamino]methyl]-3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropoxy]ethylamino]-3-oxopropoxy]ethyl]hexadecanamide.
What is the SMILES notation for N-[2-[3-[2-[3-[[2-[[3-[2-[3-[2-(hexadecanoylamino)ethoxy]propanoylamino]ethoxy]propanoylamino]methyl]-3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropoxy]ethylamino]-3-oxopropoxy]ethyl]hexadecanamide?
The canonical SMILES for N-[2-[3-[2-[3-[[2-[[3-[2-[3-[2-(hexadecanoylamino)ethoxy]propanoylamino]ethoxy]propanoylamino]methyl]-3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropoxy]ethylamino]-3-oxopropoxy]ethyl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)NCCOCCC(=O)NCCOCCC(=O)NCC(CNC(=O)CCOCCNC(=O)CCOCCNC(=O)CCCCCCCCCCCCCCC)C(=O)NCC(C)C.
What is the InChIKey of N-[2-[3-[2-[3-[[2-[[3-[2-[3-[2-(hexadecanoylamino)ethoxy]propanoylamino]ethoxy]propanoylamino]methyl]-3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropoxy]ethylamino]-3-oxopropoxy]ethyl]hexadecanamide?
The InChIKey is QCEIQIMTNJEUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H115N7O11/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-54(68)61-37-45-75-41-33-56(70)63-39-47-77-43-35-58(72)65-50-53(60(74)67-49-52(3)4)51-66-59(73)36-44-78-48-40-64-57(71)34-42-76-46-38-62-55(69)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h52-53H,5-51H2,1-4H3,(H,61,68)(H,62,69)(H,63,70)(H,64,71)(H,65,72)(H,66,73)(H,67,74).
What are the key properties of N-[2-[3-[2-[3-[[2-[[3-[2-[3-[2-(hexadecanoylamino)ethoxy]propanoylamino]ethoxy]propanoylamino]methyl]-3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropoxy]ethylamino]-3-oxopropoxy]ethyl]hexadecanamide?
N-[2-[3-[2-[3-[[2-[[3-[2-[3-[2-(hexadecanoylamino)ethoxy]propanoylamino]ethoxy]propanoylamino]methyl]-3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropoxy]ethylamino]-3-oxopropoxy]ethyl]hexadecanamide has a molecular weight of 1110.62 g/mol, XLogP of 8.66, 59 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[2-[3-[[2-[[3-[2-[3-[2-(hexadecanoylamino)ethoxy]propanoylamino]ethoxy]propanoylamino]methyl]-3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropoxy]ethylamino]-3-oxopropoxy]ethyl]hexadecanamide is sourced from PubChem (CID 170122633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).