N-[3-[2-[2-[3-(methylamino)propoxy]ethoxy]ethoxy]propyl]-4-oxopentanamide

C16H32N2O5 — CID 22982042

IUPACN-[3-[2-[2-[3-(methylamino)propoxy]ethoxy]ethoxy]propyl]-4-oxopentanamide
SMILESCNCCCOCCOCCOCCCNC(=O)CCC(C)=O
InChIInChI=1S/C16H32N2O5/c1-15(19)5-6-16(20)18-8-4-10-22-12-14-23-13-11-21-9-3-7-17-2/h17H,3-14H2,1-2H3,(H,18,20)
InChIKeyDPVPZGNOSMSPEN-UHFFFAOYSA-N
MW332.44 g/mol
LogP0.52
Rot. Bonds17

About N-[3-[2-[2-[3-(methylamino)propoxy]ethoxy]ethoxy]propyl]-4-oxopentanamide

N-[3-[2-[2-[3-(methylamino)propoxy]ethoxy]ethoxy]propyl]-4-oxopentanamide (PubChem CID 22982042) has the molecular formula C16H32N2O5 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[3-[2-[2-[3-(methylamino)propoxy]ethoxy]ethoxy]propyl]-4-oxopentanamide.

Molecular Properties

Compound NameN-[3-[2-[2-[3-(methylamino)propoxy]ethoxy]ethoxy]propyl]-4-oxopentanamide
PubChem CID22982042
Molecular FormulaC16H32N2O5
Molecular Weight332.44 g/mol
Exact Mass332.23
IUPAC NameN-[3-[2-[2-[3-(methylamino)propoxy]ethoxy]ethoxy]propyl]-4-oxopentanamide
SMILESCNCCCOCCOCCOCCCNC(=O)CCC(C)=O
InChIInChI=1S/C16H32N2O5/c1-15(19)5-6-16(20)18-8-4-10-22-12-14-23-13-11-21-9-3-7-17-2/h17H,3-14H2,1-2H3,(H,18,20)
InChIKeyDPVPZGNOSMSPEN-UHFFFAOYSA-N
XLogP0.52
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-[3-(methylamino)propoxy]ethoxy]ethoxy]propyl]-4-oxopentanamide?
The IUPAC name of N-[3-[2-[2-[3-(methylamino)propoxy]ethoxy]ethoxy]propyl]-4-oxopentanamide (CID 22982042) is N-[3-[2-[2-[3-(methylamino)propoxy]ethoxy]ethoxy]propyl]-4-oxopentanamide.
What is the SMILES notation for N-[3-[2-[2-[3-(methylamino)propoxy]ethoxy]ethoxy]propyl]-4-oxopentanamide?
The canonical SMILES for N-[3-[2-[2-[3-(methylamino)propoxy]ethoxy]ethoxy]propyl]-4-oxopentanamide is CNCCCOCCOCCOCCCNC(=O)CCC(C)=O.
What is the InChIKey of N-[3-[2-[2-[3-(methylamino)propoxy]ethoxy]ethoxy]propyl]-4-oxopentanamide?
The InChIKey is DPVPZGNOSMSPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O5/c1-15(19)5-6-16(20)18-8-4-10-22-12-14-23-13-11-21-9-3-7-17-2/h17H,3-14H2,1-2H3,(H,18,20).
What are the key properties of N-[3-[2-[2-[3-(methylamino)propoxy]ethoxy]ethoxy]propyl]-4-oxopentanamide?
N-[3-[2-[2-[3-(methylamino)propoxy]ethoxy]ethoxy]propyl]-4-oxopentanamide has a molecular weight of 332.44 g/mol, XLogP of 0.52, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-[3-(methylamino)propoxy]ethoxy]ethoxy]propyl]-4-oxopentanamide is sourced from PubChem (CID 22982042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).