N-[3-[2,3-bis[2-[2,3-bis(2-methoxyethoxy)propoxy]ethoxy]propoxy]propyl]-3-(2,5-dioxopyrrol-1-yl)propanamide

C35H64N2O16 — CID 58253060

IUPACN-[3-[2,3-bis[2-[2,3-bis(2-methoxyethoxy)propoxy]ethoxy]propoxy]propyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCOCCOCC(COCCOCC(COCCCNC(=O)CCN1C(=O)C=CC1=O)OCCOCC(COCCOC)OCCOC)OCCOC
InChIInChI=1S/C35H64N2O16/c1-41-12-16-46-25-31(51-21-14-43-3)28-49-19-18-48-27-30(53-23-20-50-29-32(52-22-15-44-4)26-47-17-13-42-2)24-45-11-5-9-36-33(38)8-10-37-34(39)6-7-35(37)40/h6-7,30-32H,5,8-29H2,1-4H3,(H,36,38)
InChIKeyOWPFBWLEQPSKRT-UHFFFAOYSA-N
MW768.89 g/mol
LogP-0.35
Rot. Bonds40

About N-[3-[2,3-bis[2-[2,3-bis(2-methoxyethoxy)propoxy]ethoxy]propoxy]propyl]-3-(2,5-dioxopyrrol-1-yl)propanamide

N-[3-[2,3-bis[2-[2,3-bis(2-methoxyethoxy)propoxy]ethoxy]propoxy]propyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 58253060) has the molecular formula C35H64N2O16 and a molecular weight of 768.89 g/mol. Its IUPAC name is N-[3-[2,3-bis[2-[2,3-bis(2-methoxyethoxy)propoxy]ethoxy]propoxy]propyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-[2,3-bis[2-[2,3-bis(2-methoxyethoxy)propoxy]ethoxy]propoxy]propyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
PubChem CID58253060
Molecular FormulaC35H64N2O16
Molecular Weight768.89 g/mol
Exact Mass768.43
IUPAC NameN-[3-[2,3-bis[2-[2,3-bis(2-methoxyethoxy)propoxy]ethoxy]propoxy]propyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCOCCOCC(COCCOCC(COCCCNC(=O)CCN1C(=O)C=CC1=O)OCCOCC(COCCOC)OCCOC)OCCOC
InChIInChI=1S/C35H64N2O16/c1-41-12-16-46-25-31(51-21-14-43-3)28-49-19-18-48-27-30(53-23-20-50-29-32(52-22-15-44-4)26-47-17-13-42-2)24-45-11-5-9-36-33(38)8-10-37-34(39)6-7-35(37)40/h6-7,30-32H,5,8-29H2,1-4H3,(H,36,38)
InChIKeyOWPFBWLEQPSKRT-UHFFFAOYSA-N
XLogP-0.35
TPSA186.47 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds40
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.89
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

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-[3-[2,3-bis[2-[2,3-bis(2-methoxyethoxy)propoxy]ethoxy]propoxy]propyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The IUPAC name of N-[3-[2,3-bis[2-[2,3-bis(2-methoxyethoxy)propoxy]ethoxy]propoxy]propyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (CID 58253060) is N-[3-[2,3-bis[2-[2,3-bis(2-methoxyethoxy)propoxy]ethoxy]propoxy]propyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for N-[3-[2,3-bis[2-[2,3-bis(2-methoxyethoxy)propoxy]ethoxy]propoxy]propyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for N-[3-[2,3-bis[2-[2,3-bis(2-methoxyethoxy)propoxy]ethoxy]propoxy]propyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is COCCOCC(COCCOCC(COCCCNC(=O)CCN1C(=O)C=CC1=O)OCCOCC(COCCOC)OCCOC)OCCOC.
What is the InChIKey of N-[3-[2,3-bis[2-[2,3-bis(2-methoxyethoxy)propoxy]ethoxy]propoxy]propyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is OWPFBWLEQPSKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H64N2O16/c1-41-12-16-46-25-31(51-21-14-43-3)28-49-19-18-48-27-30(53-23-20-50-29-32(52-22-15-44-4)26-47-17-13-42-2)24-45-11-5-9-36-33(38)8-10-37-34(39)6-7-35(37)40/h6-7,30-32H,5,8-29H2,1-4H3,(H,36,38).
What are the key properties of N-[3-[2,3-bis[2-[2,3-bis(2-methoxyethoxy)propoxy]ethoxy]propoxy]propyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
N-[3-[2,3-bis[2-[2,3-bis(2-methoxyethoxy)propoxy]ethoxy]propoxy]propyl]-3-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 768.89 g/mol, XLogP of -0.35, 40 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2,3-bis[2-[2,3-bis(2-methoxyethoxy)propoxy]ethoxy]propoxy]propyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 58253060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).