N-[2-[2-[2,2-bis[2-[2-(6-hydroxyhexanoylamino)ethoxy]ethoxymethyl]butoxy]ethoxy]ethyl]heptanamide

C37H73N3O11 — CID 118124360

IUPACN-[2-[2-[2,2-bis[2-[2-(6-hydroxyhexanoylamino)ethoxy]ethoxymethyl]butoxy]ethoxy]ethyl]heptanamide
SMILESCCCCCCC(=O)NCCOCCOCC(CC)(COCCOCCNC(=O)CCCCCO)COCCOCCNC(=O)CCCCCO
InChIInChI=1S/C37H73N3O11/c1-3-5-6-9-14-34(43)38-17-22-46-25-28-49-31-37(4-2,32-50-29-26-47-23-18-39-35(44)15-10-7-12-20-41)33-51-30-27-48-24-19-40-36(45)16-11-8-13-21-42/h41-42H,3-33H2,1-2H3,(H,38,43)(H,39,44)(H,40,45)
InChIKeyICDDWUZOWSMPEB-UHFFFAOYSA-N
MW736.00 g/mol
LogP2.91
Rot. Bonds40

About N-[2-[2-[2,2-bis[2-[2-(6-hydroxyhexanoylamino)ethoxy]ethoxymethyl]butoxy]ethoxy]ethyl]heptanamide

N-[2-[2-[2,2-bis[2-[2-(6-hydroxyhexanoylamino)ethoxy]ethoxymethyl]butoxy]ethoxy]ethyl]heptanamide (PubChem CID 118124360) has the molecular formula C37H73N3O11 and a molecular weight of 736.00 g/mol. Its IUPAC name is N-[2-[2-[2,2-bis[2-[2-(6-hydroxyhexanoylamino)ethoxy]ethoxymethyl]butoxy]ethoxy]ethyl]heptanamide.

Molecular Properties

Compound NameN-[2-[2-[2,2-bis[2-[2-(6-hydroxyhexanoylamino)ethoxy]ethoxymethyl]butoxy]ethoxy]ethyl]heptanamide
PubChem CID118124360
Molecular FormulaC37H73N3O11
Molecular Weight736.00 g/mol
Exact Mass735.52
IUPAC NameN-[2-[2-[2,2-bis[2-[2-(6-hydroxyhexanoylamino)ethoxy]ethoxymethyl]butoxy]ethoxy]ethyl]heptanamide
SMILESCCCCCCC(=O)NCCOCCOCC(CC)(COCCOCCNC(=O)CCCCCO)COCCOCCNC(=O)CCCCCO
InChIInChI=1S/C37H73N3O11/c1-3-5-6-9-14-34(43)38-17-22-46-25-28-49-31-37(4-2,32-50-29-26-47-23-18-39-35(44)15-10-7-12-20-41)33-51-30-27-48-24-19-40-36(45)16-11-8-13-21-42/h41-42H,3-33H2,1-2H3,(H,38,43)(H,39,44)(H,40,45)
InChIKeyICDDWUZOWSMPEB-UHFFFAOYSA-N
XLogP2.91
TPSA183.14 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds40
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.00
LogP ≤ 52.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]hexadecanamide
CID 102228656
N-[4-[2-[2-[2-[2-[2-[2-(3-hydroxypropylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]octadecanamide
CID 166959227
N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 170040570
(Z)-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]octadec-9-enamide
CID 102485842
N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pentanamide
CID 54534992
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]pentanamide
CID 175944386
N-[2-(2-aminooxyethoxy)ethyl]octadecanamide
CID 87339139
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide
CID 87320335
N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide
CID 171841567
N-(3-butoxypropyl)-5-hydroxypentanamide
CID 115886729
6-hydroxy-N-tetradecylhexanamide
CID 20542961
18-hydroxy-N-octadecyloctadecanamide
CID 10984479

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2,2-bis[2-[2-(6-hydroxyhexanoylamino)ethoxy]ethoxymethyl]butoxy]ethoxy]ethyl]heptanamide?
The IUPAC name of N-[2-[2-[2,2-bis[2-[2-(6-hydroxyhexanoylamino)ethoxy]ethoxymethyl]butoxy]ethoxy]ethyl]heptanamide (CID 118124360) is N-[2-[2-[2,2-bis[2-[2-(6-hydroxyhexanoylamino)ethoxy]ethoxymethyl]butoxy]ethoxy]ethyl]heptanamide.
What is the SMILES notation for N-[2-[2-[2,2-bis[2-[2-(6-hydroxyhexanoylamino)ethoxy]ethoxymethyl]butoxy]ethoxy]ethyl]heptanamide?
The canonical SMILES for N-[2-[2-[2,2-bis[2-[2-(6-hydroxyhexanoylamino)ethoxy]ethoxymethyl]butoxy]ethoxy]ethyl]heptanamide is CCCCCCC(=O)NCCOCCOCC(CC)(COCCOCCNC(=O)CCCCCO)COCCOCCNC(=O)CCCCCO.
What is the InChIKey of N-[2-[2-[2,2-bis[2-[2-(6-hydroxyhexanoylamino)ethoxy]ethoxymethyl]butoxy]ethoxy]ethyl]heptanamide?
The InChIKey is ICDDWUZOWSMPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H73N3O11/c1-3-5-6-9-14-34(43)38-17-22-46-25-28-49-31-37(4-2,32-50-29-26-47-23-18-39-35(44)15-10-7-12-20-41)33-51-30-27-48-24-19-40-36(45)16-11-8-13-21-42/h41-42H,3-33H2,1-2H3,(H,38,43)(H,39,44)(H,40,45).
What are the key properties of N-[2-[2-[2,2-bis[2-[2-(6-hydroxyhexanoylamino)ethoxy]ethoxymethyl]butoxy]ethoxy]ethyl]heptanamide?
N-[2-[2-[2,2-bis[2-[2-(6-hydroxyhexanoylamino)ethoxy]ethoxymethyl]butoxy]ethoxy]ethyl]heptanamide has a molecular weight of 736.00 g/mol, XLogP of 2.91, 40 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2,2-bis[2-[2-(6-hydroxyhexanoylamino)ethoxy]ethoxymethyl]butoxy]ethoxy]ethyl]heptanamide is sourced from PubChem (CID 118124360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).