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

C19H32N2O8 — CID 122413883

IUPACN-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCOCCOCC(COCCCNC(=O)CCN1C(=O)C=CC1=O)OCCOC
InChIInChI=1S/C19H32N2O8/c1-25-10-12-28-15-16(29-13-11-26-2)14-27-9-3-7-20-17(22)6-8-21-18(23)4-5-19(21)24/h4-5,16H,3,6-15H2,1-2H3,(H,20,22)
InChIKeyRXSDBICSXYRXBS-UHFFFAOYSA-N
MW416.47 g/mol
LogP-0.48
Rot. Bonds18

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

N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 122413883) has the molecular formula C19H32N2O8 and a molecular weight of 416.47 g/mol. Its IUPAC name is N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
PubChem CID122413883
Molecular FormulaC19H32N2O8
Molecular Weight416.47 g/mol
Exact Mass416.22
IUPAC NameN-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCOCCOCC(COCCCNC(=O)CCN1C(=O)C=CC1=O)OCCOC
InChIInChI=1S/C19H32N2O8/c1-25-10-12-28-15-16(29-13-11-26-2)14-27-9-3-7-20-17(22)6-8-21-18(23)4-5-19(21)24/h4-5,16H,3,6-15H2,1-2H3,(H,20,22)
InChIKeyRXSDBICSXYRXBS-UHFFFAOYSA-N
XLogP-0.48
TPSA112.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 5-0.48
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-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The IUPAC name of N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (CID 122413883) is N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is COCCOCC(COCCCNC(=O)CCN1C(=O)C=CC1=O)OCCOC.
What is the InChIKey of N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is RXSDBICSXYRXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O8/c1-25-10-12-28-15-16(29-13-11-26-2)14-27-9-3-7-20-17(22)6-8-21-18(23)4-5-19(21)24/h4-5,16H,3,6-15H2,1-2H3,(H,20,22).
What are the key properties of N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-3-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 416.47 g/mol, XLogP of -0.48, 18 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 122413883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).