ethane;N,2,2-trimethylpropanamide

C8H19NO — CID 142087538

IUPACethane;N,2,2-trimethylpropanamide
SMILESCC.CNC(=O)C(C)(C)C
InChIInChI=1S/C6H13NO.C2H6/c1-6(2,3)5(8)7-4;1-2/h1-4H3,(H,7,8);1-2H3
InChIKeyLWMJTMHDTRPCBW-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.80
Rot. Bonds

About ethane;N,2,2-trimethylpropanamide

ethane;N,2,2-trimethylpropanamide (PubChem CID 142087538) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is ethane;N,2,2-trimethylpropanamide.

Molecular Properties

Compound Nameethane;N,2,2-trimethylpropanamide
PubChem CID142087538
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Nameethane;N,2,2-trimethylpropanamide
SMILESCC.CNC(=O)C(C)(C)C
InChIInChI=1S/C6H13NO.C2H6/c1-6(2,3)5(8)7-4;1-2/h1-4H3,(H,7,8);1-2H3
InChIKeyLWMJTMHDTRPCBW-UHFFFAOYSA-N
XLogP1.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-Methylpropanamide
CID 14470
N,2,2-Trimethylpropanamide
CID 138844
N-Methylisobutyramide
CID 221961
Propanamide, N-isobutyl-2,2-dimethyl
CID 528633
Propanamide, N-butyl-2,2-dimethyl
CID 528628
CID 162405835
CID 162405835
2-fluoro-N,2-dimethylpropanamide
CID 90374719
3-fluoro-N,2,2-trimethylpropanamide
CID 166991700
N-(2,2-Dimethyl-propyl)-propionamide
CID 533906
CID 100979034
CID 100979034
N-(2,2-dimethylpropyl)-2-fluoro-2-methylpropanamide
CID 130165095
2,2-dimethyl-N-propylpropanamide
CID 4185221

Frequently Asked Questions

What is the IUPAC name of ethane;N,2,2-trimethylpropanamide?
The IUPAC name of ethane;N,2,2-trimethylpropanamide (CID 142087538) is ethane;N,2,2-trimethylpropanamide.
What is the SMILES notation for ethane;N,2,2-trimethylpropanamide?
The canonical SMILES for ethane;N,2,2-trimethylpropanamide is CC.CNC(=O)C(C)(C)C.
What is the InChIKey of ethane;N,2,2-trimethylpropanamide?
The InChIKey is LWMJTMHDTRPCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C2H6/c1-6(2,3)5(8)7-4;1-2/h1-4H3,(H,7,8);1-2H3.
What are the key properties of ethane;N,2,2-trimethylpropanamide?
ethane;N,2,2-trimethylpropanamide has a molecular weight of 145.25 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,2,2-trimethylpropanamide is sourced from PubChem (CID 142087538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).