N-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-(2-methylsulfanylpyrimidin-5-yl)hexanamide

C31H57N3O10S — CID 169274198

IUPACN-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-(2-methylsulfanylpyrimidin-5-yl)hexanamide
SMILESCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCc1cnc(SC)nc1
InChIInChI=1S/C31H57N3O10S/c1-3-36-11-12-38-15-16-40-19-20-42-23-24-44-26-25-43-22-21-41-18-17-39-14-13-37-10-9-32-30(35)8-6-4-5-7-29-27-33-31(45-2)34-28-29/h27-28H,3-26H2,1-2H3,(H,32,35)
InChIKeyTWOAWGTUGWUZSA-UHFFFAOYSA-N
MW663.88 g/mol
LogP2.59
Rot. Bonds35

About N-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-(2-methylsulfanylpyrimidin-5-yl)hexanamide

N-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-(2-methylsulfanylpyrimidin-5-yl)hexanamide (PubChem CID 169274198) has the molecular formula C31H57N3O10S and a molecular weight of 663.88 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-(2-methylsulfanylpyrimidin-5-yl)hexanamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-(2-methylsulfanylpyrimidin-5-yl)hexanamide
PubChem CID169274198
Molecular FormulaC31H57N3O10S
Molecular Weight663.88 g/mol
Exact Mass663.38
IUPAC NameN-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-(2-methylsulfanylpyrimidin-5-yl)hexanamide
SMILESCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCc1cnc(SC)nc1
InChIInChI=1S/C31H57N3O10S/c1-3-36-11-12-38-15-16-40-19-20-42-23-24-44-26-25-43-22-21-41-18-17-39-14-13-37-10-9-32-30(35)8-6-4-5-7-29-27-33-31(45-2)34-28-29/h27-28H,3-26H2,1-2H3,(H,32,35)
InChIKeyTWOAWGTUGWUZSA-UHFFFAOYSA-N
XLogP2.59
TPSA137.95 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds35
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.88
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

CID 169190202
CID 169190202
18-[[6-(2-ethoxyethylamino)-6-oxohexyl]amino]-18-oxooctadecanoic acid
CID 176877409
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide
CID 89417865
2-[2-[2-[(2-methylsulfanylpyrimidine-5-carbonyl)amino]ethoxy]ethoxy]acetic acid
CID 170283260
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-(ethylamino)-2-oxoethoxy]ethoxy]ethyl]octadecanamide
CID 89136762
N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]decanamide
CID 129058822
2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043664
N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanamide
CID 122664379
5-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide;molecular hydrogen
CID 177338018
N-[4-[2-[2-[2-[2-[2-[2-(3-hydroxypropylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]octadecanamide
CID 166959227

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-(2-methylsulfanylpyrimidin-5-yl)hexanamide?
The IUPAC name of N-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-(2-methylsulfanylpyrimidin-5-yl)hexanamide (CID 169274198) is N-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-(2-methylsulfanylpyrimidin-5-yl)hexanamide.
What is the SMILES notation for N-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-(2-methylsulfanylpyrimidin-5-yl)hexanamide?
The canonical SMILES for N-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-(2-methylsulfanylpyrimidin-5-yl)hexanamide is CCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCc1cnc(SC)nc1.
What is the InChIKey of N-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-(2-methylsulfanylpyrimidin-5-yl)hexanamide?
The InChIKey is TWOAWGTUGWUZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H57N3O10S/c1-3-36-11-12-38-15-16-40-19-20-42-23-24-44-26-25-43-22-21-41-18-17-39-14-13-37-10-9-32-30(35)8-6-4-5-7-29-27-33-31(45-2)34-28-29/h27-28H,3-26H2,1-2H3,(H,32,35).
What are the key properties of N-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-(2-methylsulfanylpyrimidin-5-yl)hexanamide?
N-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-(2-methylsulfanylpyrimidin-5-yl)hexanamide has a molecular weight of 663.88 g/mol, XLogP of 2.59, 35 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-(2-methylsulfanylpyrimidin-5-yl)hexanamide is sourced from PubChem (CID 169274198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).