ethane;N,2,2,4-tetramethylpentanamide

C11H25NO — CID 143818563

IUPACethane;N,2,2,4-tetramethylpentanamide
SMILESCC.CNC(=O)C(C)(C)CC(C)C
InChIInChI=1S/C9H19NO.C2H6/c1-7(2)6-9(3,4)8(11)10-5;1-2/h7H,6H2,1-5H3,(H,10,11);1-2H3
InChIKeyJMBOYBWCLFBYKV-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.83
Rot. Bonds3

About ethane;N,2,2,4-tetramethylpentanamide

ethane;N,2,2,4-tetramethylpentanamide (PubChem CID 143818563) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is ethane;N,2,2,4-tetramethylpentanamide.

Molecular Properties

Compound Nameethane;N,2,2,4-tetramethylpentanamide
PubChem CID143818563
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Nameethane;N,2,2,4-tetramethylpentanamide
SMILESCC.CNC(=O)C(C)(C)CC(C)C
InChIInChI=1S/C9H19NO.C2H6/c1-7(2)6-9(3,4)8(11)10-5;1-2/h7H,6H2,1-5H3,(H,10,11);1-2H3
InChIKeyJMBOYBWCLFBYKV-UHFFFAOYSA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N',2,2,4-tetramethylpentanehydrazide
CID 116847123
ethane;N,N',2,2,4-pentamethylhexanediamide
CID 156649253
2,2,4-trimethyl-N-propan-2-ylpentanamide
CID 126707660
2,2,4-trimethyl-N-[3-(methylamino)propyl]pentanamide;hydrochloride
CID 119431228
N,2,2,4,4,5-hexamethylhexanamide
CID 89008752
ethane;methanamine;N,3,3,5-tetramethylhexanamide
CID 177024213
3,3,5-trimethylhexan-2-one
CID 2776079
2,2,4-trimethyl-N-prop-2-enylpentanamide
CID 166713850
hydrogen peroxide;sulfanol;2,2,4-trimethyl-N-(2,3,3,4-tetramethylpentan-2-yl)pentanamide
CID 178050151
3-amino-N,2,2-trimethylpropanamide;hydrochloride
CID 22364426
4-methyl-2-[(2,2,4-trimethylpentanoylamino)methyl]pentanoic acid
CID 120688025
N,2,2-trimethyl-3-(2-methylpropylcarbamothioylamino)propanamide
CID 103822773

Frequently Asked Questions

What is the IUPAC name of ethane;N,2,2,4-tetramethylpentanamide?
The IUPAC name of ethane;N,2,2,4-tetramethylpentanamide (CID 143818563) is ethane;N,2,2,4-tetramethylpentanamide.
What is the SMILES notation for ethane;N,2,2,4-tetramethylpentanamide?
The canonical SMILES for ethane;N,2,2,4-tetramethylpentanamide is CC.CNC(=O)C(C)(C)CC(C)C.
What is the InChIKey of ethane;N,2,2,4-tetramethylpentanamide?
The InChIKey is JMBOYBWCLFBYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C2H6/c1-7(2)6-9(3,4)8(11)10-5;1-2/h7H,6H2,1-5H3,(H,10,11);1-2H3.
What are the key properties of ethane;N,2,2,4-tetramethylpentanamide?
ethane;N,2,2,4-tetramethylpentanamide has a molecular weight of 187.33 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,2,2,4-tetramethylpentanamide is sourced from PubChem (CID 143818563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).