N-butan-2-yl-N-ethylacetamide;ethane

C12H29NO — CID 178102878

IUPACN-butan-2-yl-N-ethylacetamide;ethane
SMILESCC.CC.CCC(C)N(CC)C(C)=O
InChIInChI=1S/C8H17NO.2C2H6/c1-5-7(3)9(6-2)8(4)10;2*1-2/h7H,5-6H2,1-4H3;2*1-2H3
InChIKeyDIBKHPHUCZXGIR-UHFFFAOYSA-N
MW203.37 g/mol
LogP3.71
Rot. Bonds3

About N-butan-2-yl-N-ethylacetamide;ethane

N-butan-2-yl-N-ethylacetamide;ethane (PubChem CID 178102878) has the molecular formula C12H29NO and a molecular weight of 203.37 g/mol. Its IUPAC name is N-butan-2-yl-N-ethylacetamide;ethane.

Molecular Properties

Compound NameN-butan-2-yl-N-ethylacetamide;ethane
PubChem CID178102878
Molecular FormulaC12H29NO
Molecular Weight203.37 g/mol
Exact Mass203.22
IUPAC NameN-butan-2-yl-N-ethylacetamide;ethane
SMILESCC.CC.CCC(C)N(CC)C(C)=O
InChIInChI=1S/C8H17NO.2C2H6/c1-5-7(3)9(6-2)8(4)10;2*1-2/h7H,5-6H2,1-4H3;2*1-2H3
InChIKeyDIBKHPHUCZXGIR-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-ethylacetamide;ethane?
The IUPAC name of N-butan-2-yl-N-ethylacetamide;ethane (CID 178102878) is N-butan-2-yl-N-ethylacetamide;ethane.
What is the SMILES notation for N-butan-2-yl-N-ethylacetamide;ethane?
The canonical SMILES for N-butan-2-yl-N-ethylacetamide;ethane is CC.CC.CCC(C)N(CC)C(C)=O.
What is the InChIKey of N-butan-2-yl-N-ethylacetamide;ethane?
The InChIKey is DIBKHPHUCZXGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.2C2H6/c1-5-7(3)9(6-2)8(4)10;2*1-2/h7H,5-6H2,1-4H3;2*1-2H3.
What are the key properties of N-butan-2-yl-N-ethylacetamide;ethane?
N-butan-2-yl-N-ethylacetamide;ethane has a molecular weight of 203.37 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-ethylacetamide;ethane is sourced from PubChem (CID 178102878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).