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

C28H52N2O12 — CID 123738072

IUPAC3-(2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
SMILESCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCn1c(O)ccc1O
InChIInChI=1S/C28H52N2O12/c1-2-8-34-10-12-36-14-16-38-18-20-40-22-24-42-25-23-41-21-19-39-17-15-37-13-11-35-9-6-29-26(31)5-7-30-27(32)3-4-28(30)33/h3-4,32-33H,2,5-25H2,1H3,(H,29,31)
InChIKeyAOAAKJPWDPHTKT-UHFFFAOYSA-N
MW608.73 g/mol
LogP0.96
Rot. Bonds32

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

3-(2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide (PubChem CID 123738072) has the molecular formula C28H52N2O12 and a molecular weight of 608.73 g/mol. Its IUPAC name is 3-(2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
PubChem CID123738072
Molecular FormulaC28H52N2O12
Molecular Weight608.73 g/mol
Exact Mass608.35
IUPAC Name3-(2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
SMILESCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCn1c(O)ccc1O
InChIInChI=1S/C28H52N2O12/c1-2-8-34-10-12-36-14-16-38-18-20-40-22-24-42-25-23-41-21-19-39-17-15-37-13-11-35-9-6-29-26(31)5-7-30-27(32)3-4-28(30)33/h3-4,32-33H,2,5-25H2,1H3,(H,29,31)
InChIKeyAOAAKJPWDPHTKT-UHFFFAOYSA-N
XLogP0.96
TPSA157.56 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds32
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.73
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The IUPAC name of 3-(2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide (CID 123738072) is 3-(2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for 3-(2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide is CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCn1c(O)ccc1O.
What is the InChIKey of 3-(2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The InChIKey is AOAAKJPWDPHTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52N2O12/c1-2-8-34-10-12-36-14-16-38-18-20-40-22-24-42-25-23-41-21-19-39-17-15-37-13-11-35-9-6-29-26(31)5-7-30-27(32)3-4-28(30)33/h3-4,32-33H,2,5-25H2,1H3,(H,29,31).
What are the key properties of 3-(2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
3-(2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 608.73 g/mol, XLogP of 0.96, 32 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 123738072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).