N-[2-(2-methoxyethoxy)ethyl]pentacosa-10,12-diynamide

C30H53NO3 — CID 59079215

IUPACN-[2-(2-methoxyethoxy)ethyl]pentacosa-10,12-diynamide
SMILESCCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NCCOCCOC
InChIInChI=1S/C30H53NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-30(32)31-26-27-34-29-28-33-2/h3-13,18-29H2,1-2H3,(H,31,32)
InChIKeyFBTCMFJQADXWNY-UHFFFAOYSA-N
MW475.76 g/mol
LogP7.20
Rot. Bonds24

About N-[2-(2-methoxyethoxy)ethyl]pentacosa-10,12-diynamide

N-[2-(2-methoxyethoxy)ethyl]pentacosa-10,12-diynamide (PubChem CID 59079215) has the molecular formula C30H53NO3 and a molecular weight of 475.76 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]pentacosa-10,12-diynamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]pentacosa-10,12-diynamide
PubChem CID59079215
Molecular FormulaC30H53NO3
Molecular Weight475.76 g/mol
Exact Mass475.40
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]pentacosa-10,12-diynamide
SMILESCCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NCCOCCOC
InChIInChI=1S/C30H53NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-30(32)31-26-27-34-29-28-33-2/h3-13,18-29H2,1-2H3,(H,31,32)
InChIKeyFBTCMFJQADXWNY-UHFFFAOYSA-N
XLogP7.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.76
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethyl]pentacosa-10,12-diynamide
CID 141224382
N,N'-di(tetradecyl)docosa-10,12-diynediamide
CID 146309118
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide
CID 134259653
N-(3-hydroxypropyl)hexacosa-10,12-diynamide
CID 71323360
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
ethene;N-[2-[5-(2-sulfanylethoxy)pentoxy]ethyl]henicos-10-ynamide
CID 163381079
N,N'-didecyldodeca-5,7-diynediamide
CID 88921625
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide
CID 87320335
N-[2-(2-aminooxyethoxy)ethyl]octadecanamide
CID 87339139
N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide
CID 171841567
N-[3-(2-methylprop-2-enoylamino)propyl]hexacosa-11,13-diynamide
CID 58297943

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)ethyl]pentacosa-10,12-diynamide?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]pentacosa-10,12-diynamide (CID 59079215) is N-[2-(2-methoxyethoxy)ethyl]pentacosa-10,12-diynamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]pentacosa-10,12-diynamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]pentacosa-10,12-diynamide is CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NCCOCCOC.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]pentacosa-10,12-diynamide?
The InChIKey is FBTCMFJQADXWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H53NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-30(32)31-26-27-34-29-28-33-2/h3-13,18-29H2,1-2H3,(H,31,32).
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]pentacosa-10,12-diynamide?
N-[2-(2-methoxyethoxy)ethyl]pentacosa-10,12-diynamide has a molecular weight of 475.76 g/mol, XLogP of 7.20, 24 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]pentacosa-10,12-diynamide is sourced from PubChem (CID 59079215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).