N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]butanamide

C16H32N2O5 — CID 121313484

IUPACN-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]butanamide
SMILESCCCC(=O)NCCCOCCOCCOCCCNC(C)=O
InChIInChI=1S/C16H32N2O5/c1-3-6-16(20)18-8-5-10-22-12-14-23-13-11-21-9-4-7-17-15(2)19/h3-14H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyBNLKMQKGGBZODR-UHFFFAOYSA-N
MW332.44 g/mol
LogP0.87
Rot. Bonds16

About N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]butanamide

N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]butanamide (PubChem CID 121313484) has the molecular formula C16H32N2O5 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]butanamide.

Molecular Properties

Compound NameN-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]butanamide
PubChem CID121313484
Molecular FormulaC16H32N2O5
Molecular Weight332.44 g/mol
Exact Mass332.23
IUPAC NameN-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]butanamide
SMILESCCCC(=O)NCCCOCCOCCOCCCNC(C)=O
InChIInChI=1S/C16H32N2O5/c1-3-6-16(20)18-8-5-10-22-12-14-23-13-11-21-9-4-7-17-15(2)19/h3-14H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyBNLKMQKGGBZODR-UHFFFAOYSA-N
XLogP0.87
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidobutyl)butanamide
CID 110417477
N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]-6-oxoheptanamide
CID 142462796
N-[3-(2-chloroethoxy)propyl]butanamide
CID 106306571
N-[3-(2-ethoxyethoxy)propyl]acetamide
CID 129212456
N'-(3-butoxypropyl)-N-butylbutanediamide
CID 4602776
5-oxo-N-[3-[2-[2-[3-(pentanoylamino)propoxy]ethoxy]ethoxy]propyl]hexanamide
CID 129222312
N-[3-(2-methoxyethoxy)propyl]acetamide
CID 60668585
ethane;N-[5-[5-(2-oxopropoxy)pentoxy]pentyl]butanamide
CID 156794458
N-[5-[2-(5-acetamidopentyl)hydrazinyl]pentyl]butanamide
CID 57022282
4-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]-N-butylbutanamide
CID 123251408
ethane;N-[3-(2-methoxyethoxy)propyl]acetamide
CID 177221846
N-[2-(2-propoxyethoxy)ethyl]butanamide
CID 88853938

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]butanamide?
The IUPAC name of N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]butanamide (CID 121313484) is N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]butanamide.
What is the SMILES notation for N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]butanamide?
The canonical SMILES for N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]butanamide is CCCC(=O)NCCCOCCOCCOCCCNC(C)=O.
What is the InChIKey of N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]butanamide?
The InChIKey is BNLKMQKGGBZODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O5/c1-3-6-16(20)18-8-5-10-22-12-14-23-13-11-21-9-4-7-17-15(2)19/h3-14H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]butanamide?
N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]butanamide has a molecular weight of 332.44 g/mol, XLogP of 0.87, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]butanamide is sourced from PubChem (CID 121313484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).