N-(3-ethenoxypropyl)butanamide

C9H17NO2 — CID 60660136

IUPACN-(3-ethenoxypropyl)butanamide
SMILESC=COCCCNC(=O)CCC
InChIInChI=1S/C9H17NO2/c1-3-6-9(11)10-7-5-8-12-4-2/h4H,2-3,5-8H2,1H3,(H,10,11)
InChIKeyALCMTZMXCGRUDL-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.45
Rot. Bonds7

About N-(3-ethenoxypropyl)butanamide

N-(3-ethenoxypropyl)butanamide (PubChem CID 60660136) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(3-ethenoxypropyl)butanamide.

Molecular Properties

Compound NameN-(3-ethenoxypropyl)butanamide
PubChem CID60660136
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-(3-ethenoxypropyl)butanamide
SMILESC=COCCCNC(=O)CCC
InChIInChI=1S/C9H17NO2/c1-3-6-9(11)10-7-5-8-12-4-2/h4H,2-3,5-8H2,1H3,(H,10,11)
InChIKeyALCMTZMXCGRUDL-UHFFFAOYSA-N
XLogP1.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethenoxypropyl)butanamide?
The IUPAC name of N-(3-ethenoxypropyl)butanamide (CID 60660136) is N-(3-ethenoxypropyl)butanamide.
What is the SMILES notation for N-(3-ethenoxypropyl)butanamide?
The canonical SMILES for N-(3-ethenoxypropyl)butanamide is C=COCCCNC(=O)CCC.
What is the InChIKey of N-(3-ethenoxypropyl)butanamide?
The InChIKey is ALCMTZMXCGRUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-6-9(11)10-7-5-8-12-4-2/h4H,2-3,5-8H2,1H3,(H,10,11).
What are the key properties of N-(3-ethenoxypropyl)butanamide?
N-(3-ethenoxypropyl)butanamide has a molecular weight of 171.24 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenoxypropyl)butanamide is sourced from PubChem (CID 60660136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).