4-amino-N-(3-ethenoxypropyl)butanamide

C9H18N2O2 — CID 61273884

IUPAC4-amino-N-(3-ethenoxypropyl)butanamide
SMILESC=COCCCNC(=O)CCCN
InChIInChI=1S/C9H18N2O2/c1-2-13-8-4-7-11-9(12)5-3-6-10/h2H,1,3-8,10H2,(H,11,12)
InChIKeyYQGCGPZXSZLXFP-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.39
Rot. Bonds8

About 4-amino-N-(3-ethenoxypropyl)butanamide

4-amino-N-(3-ethenoxypropyl)butanamide (PubChem CID 61273884) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-amino-N-(3-ethenoxypropyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(3-ethenoxypropyl)butanamide
PubChem CID61273884
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name4-amino-N-(3-ethenoxypropyl)butanamide
SMILESC=COCCCNC(=O)CCCN
InChIInChI=1S/C9H18N2O2/c1-2-13-8-4-7-11-9(12)5-3-6-10/h2H,1,3-8,10H2,(H,11,12)
InChIKeyYQGCGPZXSZLXFP-UHFFFAOYSA-N
XLogP0.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-amino-N-(3-ethenoxypropyl)butanamide?
The IUPAC name of 4-amino-N-(3-ethenoxypropyl)butanamide (CID 61273884) is 4-amino-N-(3-ethenoxypropyl)butanamide.
What is the SMILES notation for 4-amino-N-(3-ethenoxypropyl)butanamide?
The canonical SMILES for 4-amino-N-(3-ethenoxypropyl)butanamide is C=COCCCNC(=O)CCCN.
What is the InChIKey of 4-amino-N-(3-ethenoxypropyl)butanamide?
The InChIKey is YQGCGPZXSZLXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-13-8-4-7-11-9(12)5-3-6-10/h2H,1,3-8,10H2,(H,11,12).
What are the key properties of 4-amino-N-(3-ethenoxypropyl)butanamide?
4-amino-N-(3-ethenoxypropyl)butanamide has a molecular weight of 186.25 g/mol, XLogP of 0.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-ethenoxypropyl)butanamide is sourced from PubChem (CID 61273884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).