N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-(2,5-dioxopyrrol-1-yl)butanamide

C18H31N3O6 — CID 59987317

IUPACN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-(2,5-dioxopyrrol-1-yl)butanamide
SMILESNCCCOCCOCCOCCCNC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C18H31N3O6/c19-7-2-10-25-12-14-27-15-13-26-11-3-8-20-16(22)4-1-9-21-17(23)5-6-18(21)24/h5-6H,1-4,7-15,19H2,(H,20,22)
InChIKeyIJGZGDLJDXOTRW-UHFFFAOYSA-N
MW385.46 g/mol
LogP-0.40
Rot. Bonds17

About N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-(2,5-dioxopyrrol-1-yl)butanamide

N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-(2,5-dioxopyrrol-1-yl)butanamide (PubChem CID 59987317) has the molecular formula C18H31N3O6 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-(2,5-dioxopyrrol-1-yl)butanamide.

Molecular Properties

Compound NameN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-(2,5-dioxopyrrol-1-yl)butanamide
PubChem CID59987317
Molecular FormulaC18H31N3O6
Molecular Weight385.46 g/mol
Exact Mass385.22
IUPAC NameN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-(2,5-dioxopyrrol-1-yl)butanamide
SMILESNCCCOCCOCCOCCCNC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C18H31N3O6/c19-7-2-10-25-12-14-27-15-13-26-11-3-8-20-16(22)4-1-9-21-17(23)5-6-18(21)24/h5-6H,1-4,7-15,19H2,(H,20,22)
InChIKeyIJGZGDLJDXOTRW-UHFFFAOYSA-N
XLogP-0.40
TPSA120.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 5-0.40
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-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-(2,5-dioxopyrrol-1-yl)butanamide?
The IUPAC name of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-(2,5-dioxopyrrol-1-yl)butanamide (CID 59987317) is N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-(2,5-dioxopyrrol-1-yl)butanamide.
What is the SMILES notation for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-(2,5-dioxopyrrol-1-yl)butanamide?
The canonical SMILES for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-(2,5-dioxopyrrol-1-yl)butanamide is NCCCOCCOCCOCCCNC(=O)CCCN1C(=O)C=CC1=O.
What is the InChIKey of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-(2,5-dioxopyrrol-1-yl)butanamide?
The InChIKey is IJGZGDLJDXOTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O6/c19-7-2-10-25-12-14-27-15-13-26-11-3-8-20-16(22)4-1-9-21-17(23)5-6-18(21)24/h5-6H,1-4,7-15,19H2,(H,20,22).
What are the key properties of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-(2,5-dioxopyrrol-1-yl)butanamide?
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-(2,5-dioxopyrrol-1-yl)butanamide has a molecular weight of 385.46 g/mol, XLogP of -0.40, 17 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-(2,5-dioxopyrrol-1-yl)butanamide is sourced from PubChem (CID 59987317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).