ethane;N-(2-methylbutan-2-yl)acetamide

C9H21NO — CID 142252022

IUPACethane;N-(2-methylbutan-2-yl)acetamide
SMILESCC.CCC(C)(C)NC(C)=O
InChIInChI=1S/C7H15NO.C2H6/c1-5-7(3,4)8-6(2)9;1-2/h5H2,1-4H3,(H,8,9);1-2H3
InChIKeyXOWVRTPXHMHBDW-UHFFFAOYSA-N
MW159.27 g/mol
LogP2.34
Rot. Bonds2

About ethane;N-(2-methylbutan-2-yl)acetamide

ethane;N-(2-methylbutan-2-yl)acetamide (PubChem CID 142252022) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is ethane;N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Nameethane;N-(2-methylbutan-2-yl)acetamide
PubChem CID142252022
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Nameethane;N-(2-methylbutan-2-yl)acetamide
SMILESCC.CCC(C)(C)NC(C)=O
InChIInChI=1S/C7H15NO.C2H6/c1-5-7(3,4)8-6(2)9;1-2/h5H2,1-4H3,(H,8,9);1-2H3
InChIKeyXOWVRTPXHMHBDW-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-Butylpivalamide
CID 299326
N-1,1,3,3-Tetramethylbutylacetamide
CID 21608
N-tert-Butylacetamide
CID 12985
n-Tert-butylpropanamide
CID 239177
N-tert-butylisobutyramide
CID 344892
Butanamide, N-(1,1-dimethylethyl)-3,3-dimethyl-
CID 547107
n-(3-Methylpentan-3-yl)acetamide
CID 291449
N-tert-butyl-2-methylbutanamide
CID 3512220
N-(2-methylbutan-2-yl)acetamide
CID 3824440
N-tert-butylbutanamide
CID 221967
N-t-butyl-2,2-dimethylbutyramide
CID 3512219
N-(2,4-dimethylpentan-2-yl)acetamide
CID 20741841

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of ethane;N-(2-methylbutan-2-yl)acetamide (CID 142252022) is ethane;N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for ethane;N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for ethane;N-(2-methylbutan-2-yl)acetamide is CC.CCC(C)(C)NC(C)=O.
What is the InChIKey of ethane;N-(2-methylbutan-2-yl)acetamide?
The InChIKey is XOWVRTPXHMHBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C2H6/c1-5-7(3,4)8-6(2)9;1-2/h5H2,1-4H3,(H,8,9);1-2H3.
What are the key properties of ethane;N-(2-methylbutan-2-yl)acetamide?
ethane;N-(2-methylbutan-2-yl)acetamide has a molecular weight of 159.27 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 142252022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).