3-(2-propoxyethylamino)butanamide

C9H20N2O2 — CID 106452583

IUPAC3-(2-propoxyethylamino)butanamide
SMILESCCCOCCNC(C)CC(N)=O
InChIInChI=1S/C9H20N2O2/c1-3-5-13-6-4-11-8(2)7-9(10)12/h8,11H,3-7H2,1-2H3,(H2,10,12)
InChIKeyBVYXBJWZDAXUQO-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.27
Rot. Bonds8

About 3-(2-propoxyethylamino)butanamide

3-(2-propoxyethylamino)butanamide (PubChem CID 106452583) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-(2-propoxyethylamino)butanamide.

Molecular Properties

Compound Name3-(2-propoxyethylamino)butanamide
PubChem CID106452583
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name3-(2-propoxyethylamino)butanamide
SMILESCCCOCCNC(C)CC(N)=O
InChIInChI=1S/C9H20N2O2/c1-3-5-13-6-4-11-8(2)7-9(10)12/h8,11H,3-7H2,1-2H3,(H2,10,12)
InChIKeyBVYXBJWZDAXUQO-UHFFFAOYSA-N
XLogP0.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(propylamino)butanamide
CID 54855476
3-(2-but-3-enoxyethylamino)butanamide
CID 115896708
3-[(2-propoxyacetyl)amino]butanamide
CID 103711750
3-(ethylamino)butanamide
CID 18792210
3-(2-sulfamoylethylamino)butanamide
CID 114385219
methyl 2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]propanoate
CID 104561977
3-(2-ethylsulfanylethylamino)butanamide
CID 104668703
methyl 3-(2-ethoxyethylamino)butanoate
CID 43590969
1-N,1-N-dimethyl-2-N-(2-propoxyethyl)propane-1,2-diamine
CID 106452397
ethyl 3-(2-but-3-enoxyethylamino)butanoate
CID 106401724
4-[2-(2-amino-2-oxoethoxy)ethylamino]pentanoic acid
CID 106235413
3-hydroxy-4-propoxybutanamide
CID 169324241

Frequently Asked Questions

What is the IUPAC name of 3-(2-propoxyethylamino)butanamide?
The IUPAC name of 3-(2-propoxyethylamino)butanamide (CID 106452583) is 3-(2-propoxyethylamino)butanamide.
What is the SMILES notation for 3-(2-propoxyethylamino)butanamide?
The canonical SMILES for 3-(2-propoxyethylamino)butanamide is CCCOCCNC(C)CC(N)=O.
What is the InChIKey of 3-(2-propoxyethylamino)butanamide?
The InChIKey is BVYXBJWZDAXUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-3-5-13-6-4-11-8(2)7-9(10)12/h8,11H,3-7H2,1-2H3,(H2,10,12).
What are the key properties of 3-(2-propoxyethylamino)butanamide?
3-(2-propoxyethylamino)butanamide has a molecular weight of 188.27 g/mol, XLogP of 0.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propoxyethylamino)butanamide is sourced from PubChem (CID 106452583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).