3-(3-cyclononyl-2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide

C30H54N2O9 — CID 123313904

IUPAC3-(3-cyclononyl-2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
SMILESCCOCCOCCOCCOCCOCCOCCNC(=O)CCn1c(O)cc(C2CCCCCCCC2)c1O
InChIInChI=1S/C30H54N2O9/c1-2-36-15-16-38-19-20-40-23-24-41-22-21-39-18-17-37-14-12-31-28(33)11-13-32-29(34)25-27(30(32)35)26-9-7-5-3-4-6-8-10-26/h25-26,34-35H,2-24H2,1H3,(H,31,33)
InChIKeySNLYJAZAJDMYCR-UHFFFAOYSA-N
MW586.77 g/mol
LogP3.74
Rot. Bonds23

About 3-(3-cyclononyl-2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide

3-(3-cyclononyl-2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide (PubChem CID 123313904) has the molecular formula C30H54N2O9 and a molecular weight of 586.77 g/mol. Its IUPAC name is 3-(3-cyclononyl-2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-(3-cyclononyl-2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
PubChem CID123313904
Molecular FormulaC30H54N2O9
Molecular Weight586.77 g/mol
Exact Mass586.38
IUPAC Name3-(3-cyclononyl-2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
SMILESCCOCCOCCOCCOCCOCCOCCNC(=O)CCn1c(O)cc(C2CCCCCCCC2)c1O
InChIInChI=1S/C30H54N2O9/c1-2-36-15-16-38-19-20-40-23-24-41-22-21-39-18-17-37-14-12-31-28(33)11-13-32-29(34)25-27(30(32)35)26-9-7-5-3-4-6-8-10-26/h25-26,34-35H,2-24H2,1H3,(H,31,33)
InChIKeySNLYJAZAJDMYCR-UHFFFAOYSA-N
XLogP3.74
TPSA129.87 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.77
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-[4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylpentoxy)-2-methylpropanamide
CID 90822953
2-[Methyl(2-methylpropanoyl)amino]ethyl 4-[3-(3-ethylhexan-3-yl)-2,5-dihydroxypyrrol-1-yl]butanoate
CID 91389928
N-[2-[2-[2-[4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide
CID 91411422
N-[2-[2-[2-[4-(2,5-dihydroxy-3-propan-2-ylpyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide
CID 91588544
13-[2,5-dihydroxy-1-(2-hydroxyethyl)pyrrol-3-yl]-N-(2-hydroxyethyl)octadeca-9,11-dienamide
CID 123250283
3-(2,5-dihydroxy-3-propylpyrrol-1-yl)-N-[2-(3-methylbutoxy)ethyl]propanamide
CID 123398823
3-[2-[2-[3-(3-Cyclopentyl-2,5-dihydroxypyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoic acid
CID 123891808
10-[2,5-dihydroxy-1-(2-hydroxyethyl)pyrrol-3-yl]-N-(2-hydroxyethyl)octadec-8-enamide
CID 123978607

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclononyl-2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The IUPAC name of 3-(3-cyclononyl-2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide (CID 123313904) is 3-(3-cyclononyl-2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for 3-(3-cyclononyl-2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for 3-(3-cyclononyl-2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide is CCOCCOCCOCCOCCOCCOCCNC(=O)CCn1c(O)cc(C2CCCCCCCC2)c1O.
What is the InChIKey of 3-(3-cyclononyl-2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The InChIKey is SNLYJAZAJDMYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54N2O9/c1-2-36-15-16-38-19-20-40-23-24-41-22-21-39-18-17-37-14-12-31-28(33)11-13-32-29(34)25-27(30(32)35)26-9-7-5-3-4-6-8-10-26/h25-26,34-35H,2-24H2,1H3,(H,31,33).
What are the key properties of 3-(3-cyclononyl-2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
3-(3-cyclononyl-2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 586.77 g/mol, XLogP of 3.74, 23 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclononyl-2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 123313904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).