N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide

C22H36N2O8 — CID 121312025

IUPACN-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCC(C)(C)C(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C22H36N2O8/c1-22(2,3)18(25)7-10-29-12-14-31-16-17-32-15-13-30-11-8-23-19(26)6-9-24-20(27)4-5-21(24)28/h4-5H,6-17H2,1-3H3,(H,23,26)
InChIKeyLIHVDODRVSGEET-UHFFFAOYSA-N
MW456.54 g/mol
LogP0.49
Rot. Bonds18

About N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide

N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 121312025) has the molecular formula C22H36N2O8 and a molecular weight of 456.54 g/mol. Its IUPAC name is N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
PubChem CID121312025
Molecular FormulaC22H36N2O8
Molecular Weight456.54 g/mol
Exact Mass456.25
IUPAC NameN-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCC(C)(C)C(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C22H36N2O8/c1-22(2,3)18(25)7-10-29-12-14-31-16-17-32-15-13-30-11-8-23-19(26)6-9-24-20(27)4-5-21(24)28/h4-5H,6-17H2,1-3H3,(H,23,26)
InChIKeyLIHVDODRVSGEET-UHFFFAOYSA-N
XLogP0.49
TPSA120.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The IUPAC name of N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (CID 121312025) is N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is CC(C)(C)C(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is LIHVDODRVSGEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O8/c1-22(2,3)18(25)7-10-29-12-14-31-16-17-32-15-13-30-11-8-23-19(26)6-9-24-20(27)4-5-21(24)28/h4-5H,6-17H2,1-3H3,(H,23,26).
What are the key properties of N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 456.54 g/mol, XLogP of 0.49, 18 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 121312025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).