3-butan-2-yloxy-N,N-diethyl-2-methylpropanamide

C12H25NO2 — CID 89427274

IUPAC3-butan-2-yloxy-N,N-diethyl-2-methylpropanamide
SMILESCCC(C)OCC(C)C(=O)N(CC)CC
InChIInChI=1S/C12H25NO2/c1-6-11(5)15-9-10(4)12(14)13(7-2)8-3/h10-11H,6-9H2,1-5H3
InChIKeyCXFWCXALVNLQMG-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.31
Rot. Bonds7

About 3-butan-2-yloxy-N,N-diethyl-2-methylpropanamide

3-butan-2-yloxy-N,N-diethyl-2-methylpropanamide (PubChem CID 89427274) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-butan-2-yloxy-N,N-diethyl-2-methylpropanamide.

Molecular Properties

Compound Name3-butan-2-yloxy-N,N-diethyl-2-methylpropanamide
PubChem CID89427274
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-butan-2-yloxy-N,N-diethyl-2-methylpropanamide
SMILESCCC(C)OCC(C)C(=O)N(CC)CC
InChIInChI=1S/C12H25NO2/c1-6-11(5)15-9-10(4)12(14)13(7-2)8-3/h10-11H,6-9H2,1-5H3
InChIKeyCXFWCXALVNLQMG-UHFFFAOYSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N,N-diethyl-2-methylbutanamide
CID 158106259
N,N-diethyl-3-hexoxy-2-methylpropanamide
CID 89427289
2-[(2R)-butan-2-yl]oxyacetic acid
CID 92979817
1,3-di(butan-2-yloxy)propan-2-ol
CID 22072723
1-butan-2-yloxypropan-2-yl formate
CID 139655513
[4-(diethylamino)-3-methyl-4-oxobutyl] N,N-diethylcarbamate
CID 122517637
3-[[1-(diethylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid
CID 62851345
2-(2-methylpropoxy)propyl 2-methylbutanoate
CID 174484897
3-butan-2-yloxy-2-ethoxypropanoic acid
CID 63074689
methyl 2-[(3-chloro-2-methylpropanoyl)-ethylamino]acetate
CID 62728356
4-(diethylamino)-N,N-diethyl-2,4-dimethylpentanamide
CID 166717183
(3-butan-2-yloxy-2-hydroxypropyl) acetate
CID 134215732

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N,N-diethyl-2-methylpropanamide?
The IUPAC name of 3-butan-2-yloxy-N,N-diethyl-2-methylpropanamide (CID 89427274) is 3-butan-2-yloxy-N,N-diethyl-2-methylpropanamide.
What is the SMILES notation for 3-butan-2-yloxy-N,N-diethyl-2-methylpropanamide?
The canonical SMILES for 3-butan-2-yloxy-N,N-diethyl-2-methylpropanamide is CCC(C)OCC(C)C(=O)N(CC)CC.
What is the InChIKey of 3-butan-2-yloxy-N,N-diethyl-2-methylpropanamide?
The InChIKey is CXFWCXALVNLQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-6-11(5)15-9-10(4)12(14)13(7-2)8-3/h10-11H,6-9H2,1-5H3.
What are the key properties of 3-butan-2-yloxy-N,N-diethyl-2-methylpropanamide?
3-butan-2-yloxy-N,N-diethyl-2-methylpropanamide has a molecular weight of 215.34 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N,N-diethyl-2-methylpropanamide is sourced from PubChem (CID 89427274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).