N-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethyl]-4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)butanamide

C18H31N3O7S — CID 59301267

IUPACN-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethyl]-4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)butanamide
SMILESCOCC(=O)NCCOCCOCCNC(=O)CCCN1C(=O)CC(SC)C1=O
InChIInChI=1S/C18H31N3O7S/c1-26-13-16(23)20-6-9-28-11-10-27-8-5-19-15(22)4-3-7-21-17(24)12-14(29-2)18(21)25/h14H,3-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyLRIKBSVYTAISTO-UHFFFAOYSA-N
MW433.53 g/mol
LogP-0.83
Rot. Bonds16

About N-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethyl]-4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)butanamide

N-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethyl]-4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)butanamide (PubChem CID 59301267) has the molecular formula C18H31N3O7S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethyl]-4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethyl]-4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)butanamide
PubChem CID59301267
Molecular FormulaC18H31N3O7S
Molecular Weight433.53 g/mol
Exact Mass433.19
IUPAC NameN-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethyl]-4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)butanamide
SMILESCOCC(=O)NCCOCCOCCNC(=O)CCCN1C(=O)CC(SC)C1=O
InChIInChI=1S/C18H31N3O7S/c1-26-13-16(23)20-6-9-28-11-10-27-8-5-19-15(22)4-3-7-21-17(24)12-14(29-2)18(21)25/h14H,3-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyLRIKBSVYTAISTO-UHFFFAOYSA-N
XLogP-0.83
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethyl]-4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethyl]-4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethyl]-4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)butanamide (CID 59301267) is N-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethyl]-4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethyl]-4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethyl]-4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)butanamide is COCC(=O)NCCOCCOCCNC(=O)CCCN1C(=O)CC(SC)C1=O.
What is the InChIKey of N-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethyl]-4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)butanamide?
The InChIKey is LRIKBSVYTAISTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O7S/c1-26-13-16(23)20-6-9-28-11-10-27-8-5-19-15(22)4-3-7-21-17(24)12-14(29-2)18(21)25/h14H,3-13H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethyl]-4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)butanamide?
N-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethyl]-4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)butanamide has a molecular weight of 433.53 g/mol, XLogP of -0.83, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethyl]-4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 59301267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).