3-butoxy-N,3-dimethylbutanamide

C10H21NO2 — CID 171565202

IUPAC3-butoxy-N,3-dimethylbutanamide
SMILESCCCCOC(C)(C)CC(=O)NC
InChIInChI=1S/C10H21NO2/c1-5-6-7-13-10(2,3)8-9(12)11-4/h5-8H2,1-4H3,(H,11,12)
InChIKeyWHMKNHYAOMSVAK-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.72
Rot. Bonds6

About 3-butoxy-N,3-dimethylbutanamide

3-butoxy-N,3-dimethylbutanamide (PubChem CID 171565202) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-butoxy-N,3-dimethylbutanamide.

Molecular Properties

Compound Name3-butoxy-N,3-dimethylbutanamide
PubChem CID171565202
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-butoxy-N,3-dimethylbutanamide
SMILESCCCCOC(C)(C)CC(=O)NC
InChIInChI=1S/C10H21NO2/c1-5-6-7-13-10(2,3)8-9(12)11-4/h5-8H2,1-4H3,(H,11,12)
InChIKeyWHMKNHYAOMSVAK-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-4-methyl-N-propylpentanamide
CID 156884877
N-methyl-2-[2-(2-methylpentan-2-yloxy)ethoxy]acetamide
CID 166730060
N-[4-(4-butoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-2-(3-butoxy-3-methylbutoxy)acetamide
CID 143784438
gallium tris(5,5-dibutoxy-3-oxohexanoate)
CID 172997734
2-[(4-butoxy-2-methyl-4-oxobutan-2-yl)amino]acetic acid
CID 140557146
2-dodecoxy-2-methyltetradecane
CID 158074564
2-(3-butoxy-3-methylbutoxy)-2-methylpentane
CID 130387675
3-hydroxy-N-methyl-3-pentoxypropanamide
CID 87180448
2-methyl-2-propoxyhexane
CID 91043348
2,2-dibutoxypropan-1-ol
CID 145497919
N,N',3,3,6,6-hexamethyloctanediamide
CID 54555561
4-(2,4,4-trimethylpentan-2-yloxy)butanamide
CID 138571120

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N,3-dimethylbutanamide?
The IUPAC name of 3-butoxy-N,3-dimethylbutanamide (CID 171565202) is 3-butoxy-N,3-dimethylbutanamide.
What is the SMILES notation for 3-butoxy-N,3-dimethylbutanamide?
The canonical SMILES for 3-butoxy-N,3-dimethylbutanamide is CCCCOC(C)(C)CC(=O)NC.
What is the InChIKey of 3-butoxy-N,3-dimethylbutanamide?
The InChIKey is WHMKNHYAOMSVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-6-7-13-10(2,3)8-9(12)11-4/h5-8H2,1-4H3,(H,11,12).
What are the key properties of 3-butoxy-N,3-dimethylbutanamide?
3-butoxy-N,3-dimethylbutanamide has a molecular weight of 187.28 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N,3-dimethylbutanamide is sourced from PubChem (CID 171565202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).