N-[3-(2-methoxyethoxy)propyl]-3-[3-[3-(methylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanamide

C17H29N3O6S — CID 58005091

IUPACN-[3-(2-methoxyethoxy)propyl]-3-[3-[3-(methylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanamide
SMILESCNC(=O)CCSC1CC(=O)N(CCC(=O)NCCCOCCOC)C1=O
InChIInChI=1S/C17H29N3O6S/c1-18-14(21)5-11-27-13-12-16(23)20(17(13)24)7-4-15(22)19-6-3-8-26-10-9-25-2/h13H,3-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyLZJQFMNTELNWFG-UHFFFAOYSA-N
MW403.50 g/mol
LogP-0.46
Rot. Bonds14

About N-[3-(2-methoxyethoxy)propyl]-3-[3-[3-(methylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanamide

N-[3-(2-methoxyethoxy)propyl]-3-[3-[3-(methylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanamide (PubChem CID 58005091) has the molecular formula C17H29N3O6S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]-3-[3-[3-(methylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]-3-[3-[3-(methylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanamide
PubChem CID58005091
Molecular FormulaC17H29N3O6S
Molecular Weight403.50 g/mol
Exact Mass403.18
IUPAC NameN-[3-(2-methoxyethoxy)propyl]-3-[3-[3-(methylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanamide
SMILESCNC(=O)CCSC1CC(=O)N(CCC(=O)NCCCOCCOC)C1=O
InChIInChI=1S/C17H29N3O6S/c1-18-14(21)5-11-27-13-12-16(23)20(17(13)24)7-4-15(22)19-6-3-8-26-10-9-25-2/h13H,3-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyLZJQFMNTELNWFG-UHFFFAOYSA-N
XLogP-0.46
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-methoxyethoxy)propyl]-3-[3-[3-(methylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanamide?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]-3-[3-[3-(methylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanamide (CID 58005091) is N-[3-(2-methoxyethoxy)propyl]-3-[3-[3-(methylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]-3-[3-[3-(methylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanamide?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]-3-[3-[3-(methylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanamide is CNC(=O)CCSC1CC(=O)N(CCC(=O)NCCCOCCOC)C1=O.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]-3-[3-[3-(methylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanamide?
The InChIKey is LZJQFMNTELNWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O6S/c1-18-14(21)5-11-27-13-12-16(23)20(17(13)24)7-4-15(22)19-6-3-8-26-10-9-25-2/h13H,3-12H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-[3-(2-methoxyethoxy)propyl]-3-[3-[3-(methylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanamide?
N-[3-(2-methoxyethoxy)propyl]-3-[3-[3-(methylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanamide has a molecular weight of 403.50 g/mol, XLogP of -0.46, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]-3-[3-[3-(methylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanamide is sourced from PubChem (CID 58005091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).